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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

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Popular Name: 6-imidazol-1-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine 6-imidazol-1-yl-N-[4-(trifluorom…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ABL1-1-E Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic Eukaryotes 1660 0.35 Binding ≤ 10μM
BCR-1-E Breakpoint Cluster Region Protein (cluster #1 Of 1), Eukaryotic Eukaryotes 1660 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
BCR_HUMAN P11274 Breakpoint Cluster Region Protein, Human 1660 0.35 Binding ≤ 10μM
ABL1_HUMAN P00519 Tyrosine-protein Kinase ABL, Human 1660 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) 3.19 9.79 -9.3 1 6 0 65 321.262 5 ↓
Lo Low (pH 4.5-6) 3.19 10.34 -36.37 2 6 1 66 322.27 5 ↓

Analogs

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Popular Name: 6-imidazol-1-yl-N-(p-tolyl)pyrimidin-4-amine 6-imidazol-1-yl-N-(p-tolyl)pyrim…

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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) 2.67 10.68 -8.98 1 5 0 56 251.293 3 ↓
Lo Low (pH 4.5-6) 2.67 11.23 -34.62 2 5 1 57 252.301 3 ↓

Analogs

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Popular Name: N-(3,4-dimethylphenyl)-6-imidazol-1-yl-pyrimidin-4-amine N-(3,4-dimethylphenyl)-6-imidazo…

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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 11.23 -9.01 1 5 0 56 265.32 3 ↓
Lo Low (pH 4.5-6) 3.05 11.78 -34.6 2 5 1 57 266.328 3 ↓

Analogs

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Popular Name: N-(4-bromo-2-fluoro-phenyl)-6-imidazol-1-yl-5-nitro-pyrimidin-4-amine N-(4-bromo-2-fluoro-phenyl)-6-im…

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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) 3.01 11.49 -9.36 1 8 0 101 379.149 4 ↓
Mid Mid (pH 6-8) 3.01 12.2 -37.18 2 8 1 103 380.157 4 ↓

Analogs

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Popular Name: N-(3-bromophenyl)-6-imidazol-1-yl-5-nitro-pyrimidin-4-amine N-(3-bromophenyl)-6-imidazol-1-y…

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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) 2.90 11.28 -9 1 8 0 101 361.159 4 ↓
Mid Mid (pH 6-8) 2.90 11.99 -36.15 2 8 1 103 362.167 4 ↓

Analogs

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Popular Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-6-imidazol-1-yl-5-nitro-pyrimidin-4-amine N-[4-chloro-3-(trifluoromethyl)p…

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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) 3.61 12.09 -10.09 1 8 0 101 384.705 5 ↓
Mid Mid (pH 6-8) 3.61 12.79 -38.79 2 8 1 103 385.713 5 ↓

Analogs

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Popular Name: N-(3-chloro-4-fluoro-phenyl)-6-imidazol-1-yl-5-nitro-pyrimidin-4-amine N-(3-chloro-4-fluoro-phenyl)-6-i…

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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) 2.88 11.22 -9.55 1 8 0 101 334.698 4 ↓
Mid Mid (pH 6-8) 2.88 11.94 -37.96 2 8 1 103 335.706 4 ↓

Analogs

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Popular Name: N-[4-[(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)amino]phenyl]acetamide N-[4-[(6-imidazol-1-yl-5-nitro-p…

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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) 1.33 9.56 -14.4 2 10 0 131 339.315 5 ↓
Mid Mid (pH 6-8) 1.33 10.28 -39.83 3 10 1 132 340.323 5 ↓

Analogs

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Popular Name: N-(5-chloro-2,4-dimethoxy-phenyl)-6-imidazol-1-yl-5-nitro-pyrimidin-4-amine N-(5-chloro-2,4-dimethoxy-phenyl…

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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 10.04 -11.07 1 10 0 120 376.76 6 ↓
Mid Mid (pH 6-8) 2.76 10.74 -37.14 2 10 1 121 377.768 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.63 12.22 -11.88 1 10 0 128 354.326 7 ↓
Mid Mid (pH 6-8) 2.63 12.93 -37.18 2 10 1 129 355.334 7 ↓

Analogs

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Popular Name: 6-imidazol-1-yl-5-nitro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine 6-imidazol-1-yl-5-nitro-N-[4-(tr…

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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) 3.08 10.44 -8.95 1 9 0 111 366.259 6 ↓
Mid Mid (pH 6-8) 3.08 11.15 -36.53 2 9 1 112 367.267 6 ↓

Analogs

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Popular Name: 6-imidazol-1-yl-5-nitro-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine 6-imidazol-1-yl-5-nitro-N-[4-(tr…

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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) 3.01 11.66 -9.3 1 8 0 101 350.26 5 ↓
Mid Mid (pH 6-8) 3.01 12.37 -37.11 2 8 1 103 351.268 5 ↓

Analogs

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Popular Name: N-(2,5-difluorophenyl)-6-imidazol-1-yl-5-nitro-pyrimidin-4-amine N-(2,5-difluorophenyl)-6-imidazo…

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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) 2.37 10.93 -9.31 1 8 0 101 318.243 4 ↓
Mid Mid (pH 6-8) 2.37 11.64 -36.03 2 8 1 103 319.251 4 ↓

Analogs

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Popular Name: N-(2,4-difluorophenyl)-6-imidazol-1-yl-5-nitro-pyrimidin-4-amine N-(2,4-difluorophenyl)-6-imidazo…

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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) 2.37 10.93 -9.74 1 8 0 101 318.243 4 ↓
Mid Mid (pH 6-8) 2.37 11.64 -37.53 2 8 1 103 319.251 4 ↓

Analogs

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Popular Name: N-(3,4-difluorophenyl)-6-imidazol-1-yl-5-nitro-pyrimidin-4-amine N-(3,4-difluorophenyl)-6-imidazo…

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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) 2.37 10.78 -10.27 1 8 0 101 318.243 4 ↓
Mid Mid (pH 6-8) 2.37 11.49 -38.86 2 8 1 103 319.251 4 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.22 12.16 -12.51 0 10 0 119 354.326 6 ↓
Mid Mid (pH 6-8) 2.22 12.86 -37.15 1 10 1 120 355.334 6 ↓

Analogs

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Popular Name: N-(2-ethoxyphenyl)-6-imidazol-1-yl-5-nitro-pyrimidin-4-amine N-(2-ethoxyphenyl)-6-imidazol-1-…

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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) 2.50 11.1 -10.54 1 9 0 111 326.316 6 ↓
Mid Mid (pH 6-8) 2.50 11.81 -35.97 2 9 1 112 327.324 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.79 12.5 -13.97 1 10 0 128 354.326 7 ↓
Mid Mid (pH 6-8) 2.79 13.2 -38.66 2 10 1 129 355.334 7 ↓

Analogs

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Popular Name: 4-[(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)amino]benzoic 4-[(6-imidazol-1-yl-5-nitro-pyri…

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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) 2.02 11.2 -49.63 1 10 -1 142 325.264 5 ↓
Mid Mid (pH 6-8) 2.02 11.91 -70.68 2 10 0 143 326.272 5 ↓

Analogs

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Popular Name: N4-ethyl-6-imidazol-1-yl-N4-(m-tolyl)pyrimidine-4,5-diamine N4-ethyl-6-imidazol-1-yl-N4-(m-t…

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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) 2.24 9.79 -7.7 2 6 0 73 294.362 4 ↓
Mid Mid (pH 6-8) 2.24 10.64 -34.69 3 6 1 74 295.37 4 ↓

Parameters Provided:

ring.id = 366983
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 366983 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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