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Ligand

NameCHEMBL213444
Molecular formulaC28H25ClN6O
IUPAC nameN-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]quinoline-3-carboxamide
Molecular weight496.999
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50190227
quinoline-3-carboxylic acid [8-chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,e][1,4]diazepin-5-yl]-amide
Inchi KeyAIHMNABLEMTJJF-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H25ClN6O/c1-33-12-14-34(15-13-33)27-22-7-3-5-9-25(22)35(26-11-10-21(29)17-24(26)31-27)32-28(36)20-16-19-6-2-4-8-23(19)30-18-20/h2-11,16-18H,12-15H2,1H3,(H,32,36)
PubChem CID44415559
ChEMBLCHEMBL213444
IUPHARN/A
BindingDB50190227
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
6221D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446

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