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Ligand

NameSMR000094562
Molecular formulaC23H26N4O2S
IUPAC name2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
Molecular weight422.547
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.6
SynonymsAC1NSCO1
MCULE-4460831132
SR-01000129564-1
1-[({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}thio)acetyl]-4-pyridin-2-ylpiperazine
MolPort-007-639-058
[ Show all ]
Inchi KeyAFIGTSAWIUKCJI-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26N4O2S/c1-17-6-8-19(9-7-17)23-25-20(18(2)29-23)15-30-16-22(28)27-13-11-26(12-14-27)21-5-3-4-10-24-21/h3-10H,11-16H2,1-2H3
PubChem CID5307495
ChEMBLCHEMBL1529029
IUPHARN/A
BindingDB37151
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
463394Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593
4176Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
4177Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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