UCSF

ZINC53312716

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 29 Yes

Popular Name: N-[4-(6-amino-3-pyridyl)-2-cyclohexen-1-yl-phenyl]-4-cyano-1H-imidazole-2-carboxamide N-[4-(6-amino-3-pyridyl)-2-cyclo…

Find On: PubMed — Wikipedia — Google

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) 3.27 7.5 -37.76 3 7 -1 119 383.435 4 ↓
Mid Mid (pH 6-8) 3.27 7.96 -13.2 4 7 0 120 384.443 4 ↓
Mid Mid (pH 6-8) 3.27 7.98 -55.9 4 7 0 120 384.443 4 ↓
Lo Low (pH 4.5-6) 3.27 8.44 -41.09 5 7 1 122 385.451 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CSF1R-1-E Macrophage Colony-stimulating Factor 1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 5 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CSF1R_HUMAN P07333 Macrophage Colony Stimulating Factor Receptor, Human 4.5 0.40 Binding ≤ 1μM
CSF1R_HUMAN P07333 Macrophage Colony Stimulating Factor Receptor, Human 4.5 0.40 Binding ≤ 10μM

Rings

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

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