UCSF

ZINC40954935

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 13 Yes

Popular Name: 3-Hydroxy-5-methylquinolin-2(1H)-one 3-Hydroxy-5-methylquinolin-2(1H)…

Find On: PubMed — Wikipedia — Google

CAS Number: 1159706-33-8

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) 1.57 2.29 -7.1 2 3 0 53 175.187 0 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OXDA-1-E D-amino-acid Oxidase (cluster #1 Of 2), Eukaryotic Eukaryotes 16 0.84 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OXDA_HUMAN P14920 D-amino-acid Oxidase, Human 16 0.84 Binding ≤ 1μM
OXDA_HUMAN P14920 D-amino-acid Oxidase, Human 16 0.84 Binding ≤ 10μM
OXDA_RAT O35078 D-amino-acid Oxidase, Rat 8470 0.55 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Glyoxylate metabolism

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

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