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Ligand

NameCID 44250209
Molecular formulaC25H25F3N2O
IUPAC name3-methyl-6-[2-(trifluoromethyl)phenyl]spiro[6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-9,1'-cyclopentane]-7-one
Molecular weight426.483
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP6.4
SynonymsN/A
Inchi KeyDVUIMDDXNVIBOQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H25F3N2O/c1-15-8-9-18-19(12-15)30-23(16-6-2-3-7-17(16)25(26,27)28)22-20(29-18)13-24(14-21(22)31)10-4-5-11-24/h2-3,6-9,12,23,29-30H,4-5,10-11,13-14H2,1H3
PubChem CID44250209
ChEMBLCHEMBL563374
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
70276Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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