UCSF

ZINC28963490

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 31 Yes

Popular Name: 3-[[4-[7-(dimethylaminomethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]pro 3-[[4-[7-(dimethylaminomethyl)-2…

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Download: MOL2 SDF SMILES Flexibase

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 11.08 -55.74 3 7 1 80 421.5 8 ↓
Hi High (pH 8-9.5) 2.76 8.53 -14.23 2 7 0 79 420.492 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q8MMZ8-1-E CGMP-dependent Protein Kinase (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q8MMZ8_EIMTE Q8MMZ8 CGMP-dependent Protein Kinase, Eimte 0.33 0.43 Binding ≤ 1μM
Q8MMZ8_EIMTE Q8MMZ8 CGMP-dependent Protein Kinase, Eimte 0.33 0.43 Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )