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Ligand

NameCHEMBL379286
Molecular formulaC33H29Cl2N5O3
IUPAC name2-chloro-N-[3-chloro-6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]benzo[b][1,4]benzodiazepin-11-yl]benzamide
Molecular weight614.527
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.2
SynonymsBDBM50190039
2-chloro-N-{8-chloro-11-[4-(2,3-dihydro-benzo[1,4]dioxin-6-ylmethyl)-piperazin-1-yl]-dibenzo[b,e][1,4]diazepin-5-yl}-benzamide
Inchi KeyAAIIXWICIBRNOC-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H29Cl2N5O3/c34-23-10-11-29-27(20-23)36-32(25-6-2-4-8-28(25)40(29)37-33(41)24-5-1-3-7-26(24)35)39-15-13-38(14-16-39)21-22-9-12-30-31(19-22)43-18-17-42-30/h1-12,19-20H,13-18,21H2,(H,37,41)
PubChem CID44415645
ChEMBLCHEMBL379286
IUPHARN/A
BindingDB50190039
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
227D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
226D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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