UCSF

ZINC26294740

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 28 Yes

Popular Name: 8-hydroxy-5-[(2R)-2-hydroxy-3-[2-(4-methoxyphenyl)ethylamino]propoxy]-3,4-dihydro-1H-quinolin-2-one 8-hydroxy-5-[(2R)-2-hydroxy-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) 2.02 2.5 -57.71 5 7 1 105 387.456 9 ↓
Hi High (pH 8-9.5) 2.02 1 -14.83 4 7 0 100 386.448 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ADRB3-1-E Beta-3 Adrenergic Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 560 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ADRB3_HUMAN P13945 Beta-3 Adrenergic Receptor, Human 560 0.31 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Adrenoceptors
G alpha (s) signalling events

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