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Ligand

NameCHEMBL3947371
Molecular formulaC25H33N3O2S
IUPAC nameN-cyclohexyl-N-methyl-1-[[3-(thiophene-2-carbonylamino)phenyl]methyl]piperidine-4-carboxamide
Molecular weight439.618
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM243588
US9428456, 2.077
Inchi KeyCVCLOWVYIKLFKI-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H33N3O2S/c1-27(22-9-3-2-4-10-22)25(30)20-12-14-28(15-13-20)18-19-7-5-8-21(17-19)26-24(29)23-11-6-16-31-23/h5-8,11,16-17,20,22H,2-4,9-10,12-15,18H2,1H3,(H,26,29)
PubChem CID129626004
ChEMBLCHEMBL3947371
IUPHARN/A
BindingDB243588
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
534146Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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