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Ligand

NameCHEMBL464811
Molecular formulaC32H38ClN5O
IUPAC name3-chloro-6-[4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperazin-1-yl]-11H-benzo[b][1,4]benzodiazepine
Molecular weight544.14
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.8
Synonyms8-Chloro-11-{4-[4-(3-piperidin-1-yl-propoxy)-benzyl]-piperazin-1-yl}-5H-dibenzo[b,e][1,4]diazepine
BDBM50277099
Inchi KeyCILDROBPHGWMGB-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H38ClN5O/c33-26-11-14-30-31(23-26)35-32(28-7-2-3-8-29(28)34-30)38-20-18-37(19-21-38)24-25-9-12-27(13-10-25)39-22-6-17-36-15-4-1-5-16-36/h2-3,7-14,23,34H,1,4-6,15-22,24H2
PubChem CID135986088
ChEMBLCHEMBL464811
IUPHARN/A
BindingDB50277099
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
558590D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
558588D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
558586D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
558591D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
558589Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
558587Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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