UCSF

ZINC13560859

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 36 Yes

Popular Name: 4-[4-[(5,7-dimethyl-2-propyl-imidazo[5,4-b]pyridin-3-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)quinoline 4-[4-[(5,7-dimethyl-2-propyl-imi…

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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) 5.78 13.61 -51.03 0 8 -1 96 473.564 6 ↓
Mid Mid (pH 6-8) 5.78 14.09 -53.73 1 8 0 98 474.572 6 ↓
Lo Low (pH 4.5-6) 5.78 13.93 -56.42 1 8 0 98 474.572 6 ↓
Lo Low (pH 4.5-6) 5.78 14.36 -106.03 2 8 1 99 475.58 6 ↓
Lo Low (pH 4.5-6) 5.78 14.03 -45.78 1 8 0 98 474.572 6 ↓

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 12 0.31 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 12 0.31 Binding ≤ 1μM
AGTRB_RAT P29089 Angiotensin II Type 1b (AT-1b) Receptor, Rat 12 0.31 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% )