UCSF

ZINC12503300

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 23 Yes

Popular Name: Alizapride Alizapride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 59338-87-3 , 59338-93-1 , [59338-87-3] , [59338-93-1]

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) 2.06 4.63 -42.85 3 7 1 84 316.385 6 ↓
Mid Mid (pH 6-8) 2.06 4.56 -58.53 2 7 0 83 315.377 6 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.95e-01 g/l DrugBank-approved
Purity 95% Fluorochem
Target Dopamine Receptor Selleck Chemicals
PUBCHEM_PATENT_ID EP0167451A2; EP0214009A2; EP0526862B1; EP0655914A1; EP0737066A1; EP0777479A1; EP1021204A2; EP1054891A1; US4760057; US4808624; US4820715; US4880632; US4916230; US5011992; US5372818; US5446070; US5466811; US5656286; US5684018; US5719197; US5773457; US590885 IBM Patent Data
Target Others Selleck Chemicals

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 200 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 200 0.41 Binding ≤ 1μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 200 0.41 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events

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