UCSF

ZINC01513007

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 17 Yes

Popular Name: 2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine 2-(4-methoxyphenyl)-1H-imidazo[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) 2.70 -1.19 -14.59 1 4 0 51 225.251 2 ↓
Mid Mid (pH 6-8) 2.70 -0.94 -30 2 4 1 52 226.259 2 ↓
Lo Low (pH 4.5-6) 2.70 -1.06 -34.88 2 4 1 52 226.259 2 ↓
Lo Low (pH 4.5-6) 2.70 -0.83 -98.27 3 4 2 53 227.267 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AURKA-2-E Serine/threonine-protein Kinase Aurora-A (cluster #2 Of 3), Eukaryotic Eukaryotes 6600 0.43 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AURKA_HUMAN O14965 Serine/threonine-protein Kinase Aurora-A, Human 6600 0.43 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins
Regulation of PLK1 Activity at G2/M Transition

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