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Ligand

NameCHEMBL263171
Molecular formulaC23H24F4N6O2
IUPAC nameN-[(2R)-5-(diaminomethylideneamino)-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]pentan-2-yl]-5-fluoro-1H-indole-2-carboxamide
Molecular weight492.479
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP2.7
Synonyms(R)-5-fluoro-N-(5-guanidino-1-oxo-1-(4-(trifluoromethyl)benzylamino)pentan-2-yl)-1H-indole-2-carboxamide
BDBM50198543
Inchi KeyAKFNZWADMIAXFH-GOSISDBHSA-N
Inchi IDInChI=1S/C23H24F4N6O2/c24-16-7-8-17-14(10-16)11-19(32-17)21(35)33-18(2-1-9-30-22(28)29)20(34)31-12-13-3-5-15(6-4-13)23(25,26)27/h3-8,10-11,18,32H,1-2,9,12H2,(H,31,34)(H,33,35)(H4,28,29,30)/t18-/m1/s1
PubChem CID44417941
ChEMBLCHEMBL263171
IUPHARN/A
BindingDB50198543
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
7492Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422

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