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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    ZINC Item Suppliers, Protomers, & Similar Substances

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1H-Pyrazole-4-acetamide, 3,5-dimethyl-1-phenyl-N-(phenylmethyl)-; 3,5-Dimethyl-1-phenyl-N-(phenylmethyl)-1H-pyrazole-4-acetamide; BRN 4201049; LS-127925 1H-Pyrazole-4-acetamide, 3,5-dim…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 2), Eukaryotic Eukaryotes 1000 0.35 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.72 0.39 -15.28 1 4 0 46 319.408 5 ↓

    Analogs

    20887150
    20887150

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-cycloheptyl-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-acetamide N-cycloheptyl-2-(3,5-dimethyl-1-…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 2), Eukaryotic Eukaryotes 158 0.40 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.73 0.15 -15.51 1 4 0 46 325.456 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-chloro-1-(2,6-dichlorobenzyl)-N-methyl-6-oxo-N-phenyl-1,6-dihydro-3-pyridinecarboxamide 5-chloro-1-(2,6-dichlorobenzyl)-…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 2), Eukaryotic Eukaryotes 126 0.36 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 5.20 1.36 -10.41 0 4 0 42 421.711 4 ↓

    Analogs

    6941598
    6941598

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2-chloro-4-fluoro-phenyl)methyl]-1-isopropyl-5-oxo-pyrrolidine-2-carboxamide N-[(2-chloro-4-fluoro-phenyl)met…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 2), Eukaryotic Eukaryotes 100 0.47 Binding ≤ 10μM
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 2), Eukaryotic Eukaryotes 316 0.43 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.00 6.77 -14.47 1 4 0 49 312.772 4 ↓

    Analogs

    6941592
    6941592

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2-chloro-4-fluoro-phenyl)methyl]-1-isopropyl-5-oxo-pyrrolidine-2-carboxamide N-[(2-chloro-4-fluoro-phenyl)met…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 2), Eukaryotic Eukaryotes 316 0.43 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.00 6.26 -13.33 1 4 0 49 312.772 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: KN-62 KN-62

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 2), Eukaryotic Eukaryotes 13 0.22 Binding ≤ 10μM
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 51 0.20 Functional ≤ 10μM
    Z50587-1-O Homo Sapiens (cluster #1 Of 9), Other Other 20 0.21 Functional ≤ 10μM
    Z80548-1-O THP-1 (Acute Monocytic Leukemia Cells) (cluster #1 Of 5), Other Other 81 0.19 Functional ≤ 10μM
    Z81011-1-O Human Cell Lines (cluster #1 Of 3), Other Other 51 0.20 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 5.08 -9.06 -32.14 0 11 0 130 721.861 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: A 804598 A 804598

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 2), Eukaryotic Eukaryotes 10 0.47 Binding ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.66 11.77 -35.76 1 5 -1 75 314.372 4 ↓
    Ref Reference (pH 7) 3.48 13.82 -12.17 2 5 0 73 315.38 5 ↓
    Hi High (pH 8-9.5) 3.66 13.67 -31.74 1 5 -1 78 314.372 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide N-[(2-chlorophenyl)methyl]-2-(3,…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 251 0.49 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.00 5.22 -14.22 2 4 0 58 277.755 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(3-chlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide N-[(3-chlorophenyl)methyl]-2-(3,…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 158 0.50 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.03 5.3 -14.33 2 4 0 58 277.755 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(4-chlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide N-[(4-chlorophenyl)methyl]-2-(3,…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 631 0.46 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.05 5.33 -12.24 2 4 0 58 277.755 4 ↓

    Analogs

    21649992
    21649992
    21649995
    21649995

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethylisoxazol-4-yl)acetamide N-[(2,4-dichlorophenyl)methyl]-2…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 16 0.55 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.76 7.02 -13.4 1 4 0 55 313.184 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1-adamantylmethyl)-4-chloro-benzamide N-(1-adamantylmethyl)-4-chloro-b…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.33 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.75 -0.53 -6.24 1 2 0 29 303.833 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: A-740003 A-740003

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 2), Eukaryotic Eukaryotes 20 0.31 Binding ≤ 10μM
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 92 0.28 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.93 12.83 -42.14 2 9 -1 122 473.557 9 ↓
    Ref Reference (pH 7) 3.76 13.91 -14.98 3 9 0 121 474.565 10 ↓
    Ref Reference (pH 7) 3.76 12.03 -17.11 3 9 0 121 474.565 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: A-740003 A-740003

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 2), Eukaryotic Eukaryotes 20 0.31 Binding ≤ 10μM
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 92 0.28 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.93 12.82 -44 2 9 -1 122 473.557 9 ↓
    Ref Reference (pH 7) 3.76 14.27 -16.14 3 9 0 121 474.565 10 ↓
    Ref Reference (pH 7) 3.76 12.04 -18.02 3 9 0 121 474.565 10 ↓

    Analogs

    4257054
    4257054
    6341065
    6341065
    6341066
    6341066
    6408843
    6408843
    6416334
    6416334

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(1-adamantyl)-N-(2-chlorophenyl)-acetamide 2-(1-adamantyl)-N-(2-chloropheny…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 501 0.42 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.95 -0.04 -4.96 1 2 0 29 303.833 3 ↓

    Analogs

    12366827
    12366827
    1648391
    1648391

    Draw Identity 99% 90% 80% 70%

    Popular Name: LS-79700 LS-79700

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    And 7 More

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 3981 0.33 Functional ≤ 10μM
    Z80563-1-O U-373 MG ( Glioblastoma Cells) (cluster #1 Of 1), Other Other 3800 0.33 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.97 -0.74 -30.87 2 2 1 25 299.397 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[[5-(2,3-dichlorophenyl)-1h-tetrazol-1-yl]methyl]pyridine hydrochloride 3-[[5-(2,3-dichlorophenyl)-1h-te…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 2), Eukaryotic Eukaryotes 316 0.46 Binding ≤ 10μM
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 126 0.48 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.05 6.91 -15.08 0 5 0 57 306.156 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.35 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.68 -0.92 -9.04 1 2 0 29 289.806 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: allyl(dimethoxy)BLAH allyl(dimethoxy)BLAH

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 440 0.32 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.95 2.46 -31.15 0 5 1 40 376.432 4 ↓

    Analogs

    40951608
    40951608

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-chlorophenyl)-N-[(1R)-1-[[(E)-N'-cyano-N-(2-methyl-3-pyridyl)carbamimidoyl]amino]-2,2-dimethyl- 2-(4-chlorophenyl)-N-[(1R)-1-[[(…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 32 0.36 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.68 13.77 -12.78 3 7 0 102 412.925 8 ↓
    Mid Mid (pH 6-8) 3.68 14.19 -41.87 3 7 0 106 412.925 8 ↓
    Mid Mid (pH 6-8) 3.68 14.25 -19.21 3 7 0 102 412.925 8 ↓

    Analogs

    40951606
    40951606

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-chlorophenyl)-N-[(1S)-1-[[(E)-N'-cyano-N-(2-methyl-3-pyridyl)carbamimidoyl]amino]-2,2-dimethyl- 2-(4-chlorophenyl)-N-[(1S)-1-[[(…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 32 0.36 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.68 13.75 -12.71 3 7 0 102 412.925 8 ↓
    Mid Mid (pH 6-8) 3.68 14.19 -41.86 3 7 0 106 412.925 8 ↓
    Mid Mid (pH 6-8) 3.68 14.03 -18.31 3 7 0 102 412.925 8 ↓

    Analogs

    1232995
    1232995
    39859403
    39859403
    39859404
    39859404

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3,4-dimethoxyphenyl)-N-[(1S)-2,2,2-trichloro-1-(o-tolylthiocarbamoylamino)ethyl]acetamide 2-(3,4-dimethoxyphenyl)-N-[(1S)-…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 100 0.33 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.13 -3.18 -20.17 3 6 0 71 490.84 10 ↓

    Analogs

    39859403
    39859403
    39859404
    39859404
    1232994
    1232994

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3,4-dimethoxyphenyl)-N-[(1R)-2,2,2-trichloro-1-(o-tolylthiocarbamoylamino)ethyl]acetamide 2-(3,4-dimethoxyphenyl)-N-[(1R)-…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 100 0.33 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.13 -3.17 -20.11 3 6 0 71 490.84 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-(4-fluorophenyl)adamantane-1-carbohydrazide N'-(4-fluorophenyl)adamantane-1-…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 282 0.44 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.98 -1.29 -7.23 2 3 0 41 288.366 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-phenyladamantane-1-carbohydrazide N'-phenyladamantane-1-carbohydra…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 110 0.49 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.81 -2.03 -6.75 2 3 0 41 270.376 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,4R)-3,3-dimethyl-2-methylene-N'-phenyl-norbornane-1-carbohydrazide (1R,4R)-3,3-dimethyl-2-methylene…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    P2RX7-2-E P2X Purinoceptor 7 (cluster #2 Of 2), Eukaryotic Eukaryotes 50 0.51 Binding ≤ 10μM
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 50 0.51 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.59 8.09 -7 2 3 0 41 270.376 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S,4S)-3,3-dimethyl-2-methylene-N'-phenyl-norbornane-1-carbohydrazide (1S,4S)-3,3-dimethyl-2-methylene…

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    P2RX7-2-E P2X Purinoceptor 7 (cluster #2 Of 2), Eukaryotic Eukaryotes 50 0.51 Binding ≤ 10μM
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 50 0.51 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.59 8.07 -6.97 2 3 0 41 270.376 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: AZ 10606120 DIHYDROCHLORIDE AZ 10606120 DIHYDROCHLORIDE

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 10 0.36 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.58 -6.66 -53.13 5 6 1 90 423.581 9 ↓

    Parameters Provided:

    annotation.name = P2RX7_HUMAN
anotation.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

    Structural Results Found: (before additional filtering)

    SQL Query Was

    SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'P2RX7\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?annotation.name=P2RX7_HUMAN&filter.purchasability=purchasable

    Embed Link to Results

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