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Ligand

NameCHEMBL3983033
Molecular formulaC25H32ClN3O2S
IUPAC name1-[[2-chloro-3-[(5-methylthiophene-2-carbonyl)amino]phenyl]methyl]-N-cyclohexylpiperidine-4-carboxamide
Molecular weight474.06
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.2
SynonymsBDBM243641
US9428456, 1.163
Inchi KeyARUXTRGXQQKFTO-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H32ClN3O2S/c1-17-10-11-22(32-17)25(31)28-21-9-5-6-19(23(21)26)16-29-14-12-18(13-15-29)24(30)27-20-7-3-2-4-8-20/h5-6,9-11,18,20H,2-4,7-8,12-16H2,1H3,(H,27,30)(H,28,31)
PubChem CID129626043
ChEMBLCHEMBL3983033
IUPHARN/A
BindingDB243641
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
533966Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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