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Ligand

NameCHEMBL3982357
Molecular formulaC25H32FN3O3
IUPAC nameN-tert-butyl-1-[[5-[(4-fluorobenzoyl)amino]-2-methoxyphenyl]methyl]piperidine-4-carboxamide
Molecular weight441.547
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.4
SynonymsBDBM243677
US9428456, 1.298
Inchi KeyCTWDLNAUIDFXSL-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H32FN3O3/c1-25(2,3)28-24(31)18-11-13-29(14-12-18)16-19-15-21(9-10-22(19)32-4)27-23(30)17-5-7-20(26)8-6-17/h5-10,15,18H,11-14,16H2,1-4H3,(H,27,30)(H,28,31)
PubChem CID129626069
ChEMBLCHEMBL3982357
IUPHARN/A
BindingDB243677
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
534141Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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