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Ligand

NameCHEMBL3910747
Molecular formulaC21H20F3N7O
IUPAC nameN-[(1S,2S)-2-methyl-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide
Molecular weight443.434
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP2.4
SynonymsAJQQNAKJDAXLKA-XOBRGWDASA-N
US9156829, 144
BDBM185323
N-[(1S,2S)-2-Methyl-2-{[5-(trifluoromethyl)pyrazin-2-yl]amino}cyclopentyl]-3-(pyrimidin-2-yl)pyridine-2-carboxamide
SCHEMBL17007099
Inchi KeyAJQQNAKJDAXLKA-XOBRGWDASA-N
Inchi IDInChI=1S/C21H20F3N7O/c1-20(31-16-12-28-15(11-29-16)21(22,23)24)7-2-6-14(20)30-19(32)17-13(5-3-8-25-17)18-26-9-4-10-27-18/h3-5,8-12,14H,2,6-7H2,1H3,(H,29,31)(H,30,32)/t14-,20-/m0/s1
PubChem CID118308050
ChEMBLCHEMBL3910747
IUPHARN/A
BindingDB185323
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
536155Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
536156Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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