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Ligand

NameCID 45273328
Molecular formulaC24H20ClFN2O2
IUPAC name6-(2-chloro-6-fluorophenyl)-9-(furan-2-yl)-3-methyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Molecular weight422.884
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.0
SynonymsN/A
Inchi KeyGNGGHMGWVRDRIC-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H20ClFN2O2/c1-13-7-8-17-18(10-13)28-24(22-15(25)4-2-5-16(22)26)23-19(27-17)11-14(12-20(23)29)21-6-3-9-30-21/h2-10,14,24,27-28H,11-12H2,1H3
PubChem CID45273328
ChEMBLCHEMBL562770
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
100537Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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