UCSF

ZINC01552334

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 33 Yes

Popular Name: 2-butyl-3-[4-[2-(2,3,4-triaza-5-azanidacyclopenta-1,3-dien-1-yl)phenyl]benzyl]quinazolin-4-one 2-butyl-3-[4-[2-(2,3,4-triaza-5-…

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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) 5.54 2.75 -56.55 0 7 -1 87 435.511 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AGTR1-1-E Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 10 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AGTR1_HUMAN P30556 Angiotensin II Type 1 Receptor, Human 6 0.35 Binding ≤ 1μM
AGTR1_RABIT P34976 Angiotensin II Type 1a (AT-1a) Receptor, Rabit 10 0.34 Binding ≤ 1μM
AGTR1_HUMAN P30556 Angiotensin II Type 1 Receptor, Human 6 0.35 Binding ≤ 10μM
AGTR1_RABIT P34976 Angiotensin II Type 1a (AT-1a) Receptor, Rabit 10 0.34 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% )