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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: 3-[3-[(4-methylpiperazin-1-yl)methyl]cyclobutyl]-1-(2-phenyl-7-quinolyl)imidazo[1,5-a]pyrazin-8-amin 3-[3-[(4-methylpiperazin-1-yl)me…

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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) 4.12 13.66 -45.54 3 7 1 77 504.662 5 ↓
Hi High (pH 8-9.5) 4.12 13.53 -45.97 3 7 1 77 504.662 5 ↓
Hi High (pH 8-9.5) 4.12 11.28 -16.56 2 7 0 76 503.654 5 ↓

Analogs

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Popular Name: Imidazo[1,5-a]pyrazine-1-methanamine, N,N,3-trimethyl- Imidazo[1,5-a]pyrazine-1-methana…

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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) 0.33 5.66 -36.95 1 4 1 35 191.258 2 ↓
Mid Mid (pH 6-8) 0.33 6.07 -98.2 2 4 2 36 192.266 2 ↓

Analogs

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Popular Name: trimethyl-[(3-methylimidazo[1,5-a]pyrazin-1-yl)methyl]ammonium trimethyl-[(3-methylimidazo[1,5-…

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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) -3.45 7.57 -34.81 0 4 1 30 205.285 2 ↓
Mid Mid (pH 6-8) -3.45 7.96 -94.62 1 4 2 31 206.293 2 ↓

Analogs

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Popular Name: ethyl imidazo[1,5-a]pyrazine-3-carboxylate ethyl imidazo[1,5-a]pyrazine-3-c…

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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) 0.52 4.72 -9.8 0 5 0 57 191.19 3 ↓
Mid Mid (pH 6-8) 0.52 5.16 -35.89 1 5 1 58 192.198 3 ↓

Analogs

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Popular Name: Imidazo[1,5-a]pyrazine, 3-(ethylthio)- Imidazo[1,5-a]pyrazine, 3-(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) 1.50 5.26 -7.07 0 3 0 30 179.248 2 ↓
Mid Mid (pH 6-8) 1.50 5.71 -31.88 1 3 1 31 180.256 2 ↓

Analogs

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Popular Name: Acetic acid, 2-(imidazo[1,5-a]pyrazin-3-ylthio)-, methyl ester Acetic acid, 2-(imidazo[1,5-a]py…

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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) 0.98 5.29 -9.36 0 5 0 57 223.257 4 ↓
Mid Mid (pH 6-8) 0.98 5.74 -39.69 1 5 1 58 224.265 4 ↓

Analogs

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Popular Name: Imidazo[1,5-a]pyrazine, 3-[(2,2-dimethoxyethyl)thio]- Imidazo[1,5-a]pyrazine, 3-[(2,2-…

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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) 1.06 4.29 -9.48 0 5 0 49 239.3 5 ↓
Mid Mid (pH 6-8) 1.06 4.73 -34.8 1 5 1 50 240.308 5 ↓

Analogs

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Popular Name: Imidazo[1,5-a]pyrazine, 3-(methylthio)- Imidazo[1,5-a]pyrazine, 3-(methy…

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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) 1.12 4.39 -7.2 0 3 0 30 165.221 1 ↓
Mid Mid (pH 6-8) 1.12 4.85 -32.13 1 3 1 31 166.229 1 ↓

Analogs

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Popular Name: Imidazo[1,5-a]pyrazine, 3-(methylthio)-1-nitro- Imidazo[1,5-a]pyrazine, 3-(methy…

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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) 1.20 5.7 -17.52 0 6 0 76 210.218 2 ↓
Mid Mid (pH 6-8) 1.20 6.08 -40.26 1 6 1 77 211.226 2 ↓

Analogs

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Popular Name: Imidazo[1,5-a]pyrazine, 3-(methoxymethyl)- Imidazo[1,5-a]pyrazine, 3-(metho…

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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) 0.26 2.93 -9.13 0 4 0 39 163.18 2 ↓
Mid Mid (pH 6-8) 0.26 3.37 -33.05 1 4 1 41 164.188 2 ↓

Analogs

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Popular Name: 3-Phenylimidazo[1,5-a]pyrazine 3-Phenylimidazo[1,5-a]pyrazine

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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) 2.32 6.63 -8.87 0 3 0 30 195.225 1 ↓
Mid Mid (pH 6-8) 2.32 7.08 -32.53 1 3 1 31 196.233 1 ↓

Analogs

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Popular Name: 3-(2-chlorophenyl)imidazo[1,5-a]pyrazine 3-(2-chlorophenyl)imidazo[1,5-a]…

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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) 2.95 7.25 -9.68 0 3 0 30 229.67 1 ↓
Mid Mid (pH 6-8) 2.95 7.66 -29.37 1 3 1 31 230.678 1 ↓

Analogs

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Popular Name: 3-(3,4-dichlorophenyl)imidazo[1,5-a]pyrazine 3-(3,4-dichlorophenyl)imidazo[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) 3.60 7.6 -7.11 0 3 0 30 264.115 1 ↓
Mid Mid (pH 6-8) 3.60 8.05 -38.87 1 3 1 31 265.123 1 ↓

Analogs

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Popular Name: 3-(4-nitrophenyl)imidazo[1,5-a]pyrazine 3-(4-nitrophenyl)imidazo[1,5-a]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) 2.28 6.95 -12.39 0 6 0 76 240.222 2 ↓
Mid Mid (pH 6-8) 2.28 7.35 -49.41 1 6 1 77 241.23 2 ↓

Analogs

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Popular Name: 1-propyl-N-(2-pyridylmethyl)imidazo[1,5-a]pyrazin-8-amine 1-propyl-N-(2-pyridylmethyl)imid…

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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) 1.71 8.3 -9.93 1 5 0 55 267.336 5 ↓
Lo Low (pH 4.5-6) 1.71 8.7 -39.4 2 5 1 56 268.344 5 ↓

Analogs

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Popular Name: 4-[8-amino-1-(8-fluoro-2-phenyl-7-quinolyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexanecarboxamide 4-[8-amino-1-(8-fluoro-2-phenyl-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
IGF1R-1-E Insulin-like Growth Factor 1 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 6 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
IGF1R_HUMAN P08069 Insulin-like Growth Factor I Receptor, Human 6 0.32 Binding ≤ 1μM
IGF1R_HUMAN P08069 Insulin-like Growth Factor I Receptor, Human 6 0.32 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) 3.57 10.05 -23.61 4 7 0 112 480.547 4 ↓
Lo Low (pH 4.5-6) 3.57 10.52 -51.59 5 7 1 113 481.555 4 ↓

Analogs

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Popular Name: 4-[8-amino-1-(8-fluoro-2-phenyl-7-quinolyl)imidazo[1,5-a]pyrazin-3-yl]-N-pyrimidin-4-yl-cyclohexanec 4-[8-amino-1-(8-fluoro-2-phenyl-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
IGF1R-1-E Insulin-like Growth Factor 1 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 8 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
IGF1R_HUMAN P08069 Insulin-like Growth Factor I Receptor, Human 8 0.27 Binding ≤ 1μM
IGF1R_HUMAN P08069 Insulin-like Growth Factor I Receptor, Human 8 0.27 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) 3.84 14.77 -28.18 3 9 0 124 558.621 5 ↓
Lo Low (pH 4.5-6) 3.84 15.24 -56.48 4 9 1 125 559.629 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[8-amino-1-(8-fluoro-2-phenyl-7-quinolyl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-aminophenyl)cyclohexanec 4-[8-amino-1-(8-fluoro-2-phenyl-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
IGF1R-1-E Insulin-like Growth Factor 1 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 4 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
IGF1R_HUMAN P08069 Insulin-like Growth Factor I Receptor, Human 4 0.27 Binding ≤ 1μM
IGF1R_HUMAN P08069 Insulin-like Growth Factor I Receptor, Human 4 0.27 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) 5.07 13.29 -32.14 5 8 0 124 571.66 5 ↓
Lo Low (pH 4.5-6) 5.07 13.76 -57.52 6 8 1 125 572.668 5 ↓

Analogs

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Popular Name: 4-[8-amino-1-(8-fluoro-2-phenyl-7-quinolyl)imidazo[1,5-a]pyrazin-3-yl]-N-(1H-benzimidazol-2-yl)cyclo 4-[8-amino-1-(8-fluoro-2-phenyl-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
IGF1R-1-E Insulin-like Growth Factor 1 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 6 0.26 Binding ≤ 10μM
CP2C9-1-E Cytochrome P450 2C9 (cluster #1 Of 3), Eukaryotic Eukaryotes 9800 0.16 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
IGF1R_HUMAN P08069 Insulin-like Growth Factor I Receptor, Human 6 0.26 Binding ≤ 1μM
IGF1R_HUMAN P08069 Insulin-like Growth Factor I Receptor, Human 6 0.26 Binding ≤ 10μM
CP2C9_HUMAN P11712 Cytochrome P450 2C9, Human 9800 0.16 ADME/T ≤ 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) 5.63 16.1 -25.93 4 9 0 130 596.67 4 ↓
Lo Low (pH 4.5-6) 5.63 16.57 -52.8 5 9 1 131 597.678 4 ↓

Parameters Provided:

ring.id = 14687
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 = 14687 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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