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Ligand

NameCID 45269877
Molecular formulaC22H22ClFN2O2
IUPAC name6-(2-chloro-6-fluorophenyl)-3-methoxy-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Molecular weight400.878
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.9
SynonymsN/A
Inchi KeyGNJHXXHKZSMLJI-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H22ClFN2O2/c1-22(2)10-17-20(18(27)11-22)21(19-13(23)5-4-6-14(19)24)26-16-9-12(28-3)7-8-15(16)25-17/h4-9,21,25-26H,10-11H2,1-3H3
PubChem CID45269877
ChEMBLCHEMBL558803
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
100606Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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