UCSF

ZINC36160901

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 28 Yes

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

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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) 3.12 12.84 -53.21 2 6 1 60 377.447 5 ↓
Hi High (pH 8-9.5) 3.12 10.31 -11.7 1 6 0 58 376.439 5 ↓
Lo Low (pH 4.5-6) 3.12 13.15 -103.34 3 6 2 61 378.455 5 ↓

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 0.17 0.49 Binding ≤ 1μM
Q8MMZ8_EIMTE Q8MMZ8 CGMP-dependent Protein Kinase, Eimte 0.17 0.49 Binding ≤ 10μM

Rings

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