UCSF

ZINC03784334

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 33 Yes

Popular Name: 5,7-Diethyl-3,4-dihydro-1-[[2'-(1h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1,6-naphthyridin-2(1h)-one hydrochloride 5,7-Diethyl-3,4-dihydro-1-[[2'-(…

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CAS Numbers: 146709-78-6; 151801-76-2 , 151801-76-2

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) 4.49 12.26 -53.49 0 7 -1 86 437.527 6 ↓
Lo Low (pH 4.5-6) 4.49 12.64 -41.33 2 7 1 89 439.543 6 ↓

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 4 0.36 Binding ≤ 10μM
AGTR1-1-E Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AGTR1_CAVPO Q9WV26 Type-1 Angiotensin II Receptor, Guinea Pig 3.8 0.36 Binding ≤ 1μM
AGTR1_CAVPO Q9WV26 Type-1 Angiotensin II Receptor, Guinea Pig 3.8 0.36 Binding ≤ 10μM
AGTR1_HUMAN P30556 Angiotensin II Type 1 Receptor, Human 3.8 0.36 Functional ≤ 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% )

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