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Ligand

NameCHEMBL2069581
Molecular formulaC25H24N4OS
IUPAC name(2S)-N-[3-(2-methylpyridin-4-yl)phenyl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
Molecular weight428.554
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.2
Synonyms(2S)-N-(3-(2-methylpyridin-4-yl)phenyl)-3-phenyl-2-(thiazol-4-ylmethylamino)propanamide
BDBM50390601
DIRNQNKSESHJOH-DEOSSOPVSA-N
SCHEMBL2685577
Inchi KeyDIRNQNKSESHJOH-DEOSSOPVSA-N
Inchi IDInChI=1S/C25H24N4OS/c1-18-12-21(10-11-26-18)20-8-5-9-22(14-20)29-25(30)24(13-19-6-3-2-4-7-19)27-15-23-16-31-17-28-23/h2-12,14,16-17,24,27H,13,15H2,1H3,(H,29,30)/t24-/m0/s1
PubChem CID67497264
ChEMBLCHEMBL2069581
IUPHARN/A
BindingDB50390601
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
61013Probable G-protein coupled receptor 142Q7Z601GPR142Homo sapiens (Human)462

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