A-381393   Click here for help

GtoPdb Ligand ID: 8441

Synonyms: A 381393 | A-381,393
Compound class: Synthetic organic
Comment: A-381393 is reported as a potent and selective antagonist of the dopamine D4 receptor [1].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 35.16
Molecular weight 320.2
XLogP 3.88
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES Cc1ccc(cc1C)N1CCN(CC1)Cc1nc2c([nH]1)cccc2
Isomeric SMILES Cc1ccc(cc1C)N1CCN(CC1)Cc1nc2c([nH]1)cccc2
InChI InChI=1S/C20H24N4/c1-15-7-8-17(13-16(15)2)24-11-9-23(10-12-24)14-20-21-18-5-3-4-6-19(18)22-20/h3-8,13H,9-12,14H2,1-2H3,(H,21,22)
InChI Key SAQMCVDGOIRQTC-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole
Synonyms Click here for help
A 381393 | A-381,393
Database Links Click here for help
ChEMBL Ligand CHEMBL127257
GtoPdb PubChem SID 252166651
PubChem CID 11301655
Search Google for chemical match using the InChIKey SAQMCVDGOIRQTC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SAQMCVDGOIRQTC
Search UniChem for chemical match using the InChIKey SAQMCVDGOIRQTC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SAQMCVDGOIRQTC