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Ligand

NameCHEMBL3911168
Molecular formulaC28H37N3O2
IUPAC nameN-cyclohexyl-1-[[3-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
Molecular weight447.623
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.9
SynonymsBDBM243875
US9428456, 1.113
Inchi KeyAWCKOLODWWIGES-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H37N3O2/c1-20-11-12-24(17-21(20)2)28(33)30-26-10-6-7-22(18-26)19-31-15-13-23(14-16-31)27(32)29-25-8-4-3-5-9-25/h6-7,10-12,17-18,23,25H,3-5,8-9,13-16,19H2,1-2H3,(H,29,32)(H,30,33)
PubChem CID72705982
ChEMBLCHEMBL3911168
IUPHARN/A
BindingDB243875
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
533974Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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