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Ligand

NameCHEMBL201889
Molecular formulaC24H18F3N5O
IUPAC name5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-[4-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methanone
Molecular weight449.437
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.6
SynonymsSCHEMBL6614886
(5,11-dihydro-benzo[b]pyrido[2,3-e][1,4]diazepin-6-yl)-[4-(3-methyl-pyrazol-1-yl)-2-trifluoromethyl-phenyl]-methanone
[4-(3-Methyl-1H-pyrazol-1-yl)-2-(trifluoromethyl)-phenyl]-(6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-6-yl)-methanone
BDBM50177592
FOMNYBUNFIUPHX-UHFFFAOYSA-N
[ Show all ]
Inchi KeyFOMNYBUNFIUPHX-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H18F3N5O/c1-15-10-12-32(30-15)17-8-9-18(19(13-17)24(25,26)27)23(33)31-14-16-5-4-11-28-22(16)29-20-6-2-3-7-21(20)31/h2-13H,14H2,1H3,(H,28,29)
PubChem CID9824954
ChEMBLCHEMBL201889
IUPHARN/A
BindingDB50177592
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
83388Oxytocin receptorP70536OxtrRattus norvegicus (Rat)388
83389Vasopressin V1a receptorP30560Avpr1aRattus norvegicus (Rat)424
83390Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
83387Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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