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Ligand

NameCHEMBL3982167
Molecular formulaC29H36N4O2
IUPAC nameN-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-1-methylindole-3-carboxamide
Molecular weight472.633
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.3
SynonymsBDBM243507
US9428456, 1.026
Inchi KeyAJRBHNUBIKWFAI-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H36N4O2/c1-32-20-26(25-12-5-6-13-27(25)32)29(35)31-24-11-7-8-21(18-24)19-33-16-14-22(15-17-33)28(34)30-23-9-3-2-4-10-23/h5-8,11-13,18,20,22-23H,2-4,9-10,14-17,19H2,1H3,(H,30,34)(H,31,35)
PubChem CID129625954
ChEMBLCHEMBL3982167
IUPHARN/A
BindingDB243507
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
533935Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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