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Ligand

NameCHEMBL593517
Molecular formulaC14H15ClN2OS
IUPAC nameN-[(1S)-1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-2-carboxamide
Molecular weight294.797
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.1
SynonymsBDBM50305977
(S)-N-(1-(4-chlorophenyl)-2-methylpropyl)thiazole-2-carboxamide
Inchi KeyANKYYXZDVDOIMS-LBPRGKRZSA-N
Inchi IDInChI=1S/C14H15ClN2OS/c1-9(2)12(10-3-5-11(15)6-4-10)17-13(18)14-16-7-8-19-14/h3-9,12H,1-2H3,(H,17,18)/t12-/m0/s1
PubChem CID46225341
ChEMBLCHEMBL593517
IUPHARN/A
BindingDB50305977
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
9649Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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