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Ligand

NameMLS000568945
Molecular formulaC25H18N2O
IUPAC name2-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)methylidene]propanedinitrile
Molecular weight362.432
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.5
SynonymsMCULE-9340780067
BDBM67183
SMR000149964
2-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)methylene]malononitrile
cid_4244802
[ Show all ]
Inchi KeyBZAQGYIWMHOSTB-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H18N2O/c26-16-18(17-27)14-21-12-7-13-22-23(19-8-3-1-4-9-19)15-24(28-25(21)22)20-10-5-2-6-11-20/h1-6,8-11,14-15H,7,12-13H2
PubChem CID4244802
ChEMBLCHEMBL1384372
IUPHARN/A
BindingDB67183
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
36260Apelin receptorP35414APLNRHomo sapiens (Human)380
36261Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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