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Ligand

NameCHEMBL314344
Molecular formulaC27H18ClF4N3O2
IUPAC nameN-[3-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-2-fluoro-3-(trifluoromethyl)benzamide
Molecular weight527.904
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.3
SynonymsBDBM50065114
N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepine-10-carbonyl)-3-chloro-phenyl]-2-fluoro-3-trifluoromethyl-benzamide
SCHEMBL8313051
Inchi KeyBSSDOMCYBIQOPS-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H18ClF4N3O2/c28-22-13-17(33-25(36)20-7-3-8-21(24(20)29)27(30,31)32)10-11-19(22)26(37)35-15-18-6-4-12-34(18)14-16-5-1-2-9-23(16)35/h1-13H,14-15H2,(H,33,36)
PubChem CID10673699
ChEMBLCHEMBL314344
IUPHARN/A
BindingDB50065114
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
31949Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
31950Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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