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Ligand

NameCHEMBL2393195
Molecular formulaC20H22N4O3S
IUPAC nameethyl 5-[[2-(2-tert-butylphenoxy)pyridin-3-yl]amino]-1,3,4-thiadiazole-2-carboxylate
Molecular weight398.481
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.3
SynonymsBDBM50435802
Inchi KeyARMRIVZFCKVRER-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22N4O3S/c1-5-26-18(25)17-23-24-19(28-17)22-14-10-8-12-21-16(14)27-15-11-7-6-9-13(15)20(2,3)4/h6-12H,5H2,1-4H3,(H,22,24)
PubChem CID71655561
ChEMBLCHEMBL2393195
IUPHARN/A
BindingDB50435802
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
12587P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373

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