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Ligand

NameCID 45272445
Molecular formulaC22H22F2N2O
IUPAC name6-(2,6-difluorophenyl)-3,9,9-trimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Molecular weight368.428
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.8
SynonymsN/A
Inchi KeyIOYSHVNHUBQIBG-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H22F2N2O/c1-12-7-8-15-16(9-12)26-21(19-13(23)5-4-6-14(19)24)20-17(25-15)10-22(2,3)11-18(20)27/h4-9,21,25-26H,10-11H2,1-3H3
PubChem CID45272445
ChEMBLCHEMBL550367
IUPHARN/A
BindingDBN/A
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
138344Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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