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Ligand

NameCID 45267305
Molecular formulaC25H28N2OS
IUPAC name3-methyl-6-(2-methylsulfanylphenyl)spiro[6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-9,1'-cyclopentane]-7-one
Molecular weight404.572
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP6.0
SynonymsN/A
Inchi KeyJAGBDJWFJCMSEX-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H28N2OS/c1-16-9-10-18-19(13-16)27-24(17-7-3-4-8-22(17)29-2)23-20(26-18)14-25(15-21(23)28)11-5-6-12-25/h3-4,7-10,13,24,26-27H,5-6,11-12,14-15H2,1-2H3
PubChem CID45267305
ChEMBLCHEMBL560655
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
145855Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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