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Ligand

NameCHEMBL1922806
Molecular formulaC30H36N4O2
IUPAC name2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]acetamide
Molecular weight484.644
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP4.2
SynonymsSCHEMBL9106182
SCHEMBL9106193
AULVCSFMTFTXKC-XNTDXEJSSA-N
2-[4-(1H-Indol-3-yl)-cyclohexylamino]-2-[1-(trans-cinnamoyl)piperidin-4-yl]-acetamide
BDBM50359109
Inchi KeyAULVCSFMTFTXKC-XNTDXEJSSA-N
Inchi IDInChI=1S/C30H36N4O2/c31-30(36)29(23-16-18-34(19-17-23)28(35)15-10-21-6-2-1-3-7-21)33-24-13-11-22(12-14-24)26-20-32-27-9-5-4-8-25(26)27/h1-10,15,20,22-24,29,32-33H,11-14,16-19H2,(H2,31,36)/b15-10+
PubChem CID57344218
ChEMBLCHEMBL1922806
IUPHARN/A
BindingDB50359109
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
14745C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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