UCSF

ZINC13560843

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 31 Yes

Popular Name: 2-ethyl-5,7-dimethyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridyl]phenyl]methyl]imidazo[5,4-b]pyridine 2-ethyl-5,7-dimethyl-3-[[4-[3-(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) 3.70 10.72 -49.59 0 8 -1 96 409.477 5 ↓
Mid Mid (pH 6-8) 3.70 11.13 -56.3 1 8 0 98 410.485 5 ↓
Lo Low (pH 4.5-6) 3.70 10.95 -47.95 1 8 0 98 410.485 5 ↓
Lo Low (pH 4.5-6) 3.70 11.38 -93 2 8 1 99 411.493 5 ↓
Lo Low (pH 4.5-6) 3.70 11.13 -53.77 1 8 0 98 410.485 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AGTRB-1-E Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 18 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AGTRB_RAT P29089 Angiotensin II Type 1b (AT-1b) Receptor, Rat 18 0.35 Binding ≤ 1μM
AGTRB_RAT P29089 Angiotensin II Type 1b (AT-1b) Receptor, Rat 18 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
Peptide ligand-binding receptors

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