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Ligand

NameCHEMBL3918035
Molecular formulaC27H33N5O2
IUPAC nameN-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-1H-pyrrolo[3,2-b]pyridine-6-carboxamide
Molecular weight459.594
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP3.3
SynonymsBDBM243762
US9428456, 1.093
Inchi KeyBPPRWALAPUCYRT-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H33N5O2/c33-26(30-22-6-2-1-3-7-22)20-10-13-32(14-11-20)18-19-5-4-8-23(15-19)31-27(34)21-16-25-24(29-17-21)9-12-28-25/h4-5,8-9,12,15-17,20,22,28H,1-3,6-7,10-11,13-14,18H2,(H,30,33)(H,31,34)
PubChem CID129626115
ChEMBLCHEMBL3918035
IUPHARN/A
BindingDB243762
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
534019Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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