UCSF

ZINC27303430

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 22 Yes

Popular Name: Perlapine Perlapine

Find On: PubMed — Wikipedia — Google

CAS Number: 1977-11-3

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) 2.88 8.7 -7.41 0 3 0 19 291.398 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0035711A2; EP0035714A2; EP0174342A1; EP0447857A1; EP0447857B1; EP0472969A1; EP0472969B1; EP0531524B1; EP0610854A1; EP0610854B1; EP0665009A1; EP0665009B1; EP0901787A1; EP0906315A1; EP0912174A1; EP0912579A1; EP0996424A1; EP1021204A2; US3947579; US3978216 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD2-15-E Dopamine D2 Receptor (cluster #15 Of 24), Eukaryotic Eukaryotes 2700 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 2700 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events

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