UCSF

ZINC26384761

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 21 Yes

Popular Name: -5-BROMO-N-[ METHYL]-2-HYDROXY-3-METHOXYBENZAMIDE -5-BROMO-N-[ METHYL]-2-HYDROXY-3…

Find On: PubMed — Wikipedia — Google

CAS Number: 128600-22-6

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) 2.78 5.8 -42.12 3 5 1 63 358.256 5 ↓
Hi High (pH 8-9.5) 2.78 4.4 -54.53 1 5 -1 65 356.24 5 ↓
Mid Mid (pH 6-8) 2.78 6.74 -66.21 2 5 0 66 357.248 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD2-17-E Dopamine D2 Receptor (cluster #17 Of 24), Eukaryotic Eukaryotes 8210 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 8210 0.34 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events

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