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Ligand

NameCID 45269039
Molecular formulaC22H23N3O3
IUPAC name3,9,9-trimethyl-6-(2-nitrophenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Molecular weight377.444
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.4
SynonymsN/A
Inchi KeyHTYYFYGPAMUOGE-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23N3O3/c1-13-8-9-15-16(10-13)24-21(14-6-4-5-7-18(14)25(27)28)20-17(23-15)11-22(2,3)12-19(20)26/h4-10,21,23-24H,11-12H2,1-3H3
PubChem CID45269039
ChEMBLCHEMBL561979
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
124064Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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