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Ligand

NameCID 45269883
Molecular formulaC23H26N2OS
IUPAC name3,9,9-trimethyl-6-(2-methylsulfanylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Molecular weight378.534
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.1
SynonymsN/A
Inchi KeyBRBWKRUMDMPOGA-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26N2OS/c1-14-9-10-16-17(11-14)25-22(15-7-5-6-8-20(15)27-4)21-18(24-16)12-23(2,3)13-19(21)26/h5-11,22,24-25H,12-13H2,1-4H3
PubChem CID45269883
ChEMBLCHEMBL554477
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
30864Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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