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Ligand

NameCHEMBL50273
Molecular formulaC18H21N7O3
IUPAC name3-(5-amino-7-oxo-6H-triazolo[4,5-d]pyrimidin-2-yl)-N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]benzamide
Molecular weight383.412
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP1.6
SynonymsN/A
Inchi KeyASSNHAZYCRRPHO-DGCLKSJQSA-N
Inchi IDInChI=1S/C18H21N7O3/c19-18-21-15-14(17(28)22-18)23-25(24-15)12-6-3-5-10(8-12)16(27)20-9-11-4-1-2-7-13(11)26/h3,5-6,8,11,13,26H,1-2,4,7,9H2,(H,20,27)(H3,19,21,22,24,28)/t11-,13-/m1/s1
PubChem CID135508448
ChEMBLN/A
IUPHARN/A
BindingDB50143042
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
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GLASS IDNameUniProtGeneSpeciesLength
536345Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300

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