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Ligand

NameCHEMBL3983113
Molecular formulaC28H34N4O2
IUPAC nameN-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-1H-indole-3-carboxamide
Molecular weight458.606
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP4.3
SynonymsBDBM243508
SCHEMBL17270185
US9428456, 1.027
Inchi KeyCONQIUXVPYTREV-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H34N4O2/c33-27(30-22-8-2-1-3-9-22)21-13-15-32(16-14-21)19-20-7-6-10-23(17-20)31-28(34)25-18-29-26-12-5-4-11-24(25)26/h4-7,10-12,17-18,21-22,29H,1-3,8-9,13-16,19H2,(H,30,33)(H,31,34)
PubChem CID118521892
ChEMBLCHEMBL3983113
IUPHARN/A
BindingDB243508
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
534110Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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