UCSF

ZINC36160951

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 26 Yes

Popular Name: 1-[2-(4-fluorophenyl)-3-pyrimidin-4-yl-imidazo[1,2-a]pyridin-7-yl]-N,N-dimethyl-methanamine 1-[2-(4-fluorophenyl)-3-pyrimidi…

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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) 2.52 12.34 -53.31 1 5 1 48 348.405 4 ↓
Hi High (pH 8-9.5) 2.52 9.81 -11.45 0 5 0 46 347.397 4 ↓
Lo Low (pH 4.5-6) 2.52 13.14 -103.34 2 5 2 49 349.413 4 ↓

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 2 0.47 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q8MMZ8_EIMTE Q8MMZ8 CGMP-dependent Protein Kinase, Eimte 1.9 0.47 Binding ≤ 1μM
Q8MMZ8_EIMTE Q8MMZ8 CGMP-dependent Protein Kinase, Eimte 1.9 0.47 Binding ≤ 10μM

Rings

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

No pre-computed analogs available. Try a structural similarity search.