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Ligand

NameCHEMBL1837038
Molecular formulaC22H23ClN6O2
IUPAC namemethyl 8-chloro-1-(1-pyridin-2-ylpiperidin-4-yl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-5-carboxylate
Molecular weight438.916
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.7
SynonymsBDBM50354895
Inchi KeyBKJSIODGIVFGTL-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23ClN6O2/c1-31-22(30)28-13-16-12-17(23)5-6-18(16)29-20(14-28)25-26-21(29)15-7-10-27(11-8-15)19-4-2-3-9-24-19/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3
PubChem CID56672570
ChEMBLCHEMBL1837038
IUPHARN/A
BindingDB50354895
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
25836Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
25835Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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