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Ligand

NameCHEMBL1922790
Molecular formulaC31H35F3N4O2
IUPAC name2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N-methyl-2-[1-[(E)-3-(3,4,5-trifluorophenyl)prop-2-enoyl]piperidin-4-yl]acetamide
Molecular weight552.642
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.9
SynonymsBDBM50359126
SCHEMBL9108068
Inchi KeyAZVSLUBBYSIRII-IZZDOVSWSA-N
Inchi IDInChI=1S/C31H35F3N4O2/c1-35-31(40)30(37-22-9-7-20(8-10-22)24-18-36-27-5-3-2-4-23(24)27)21-12-14-38(15-13-21)28(39)11-6-19-16-25(32)29(34)26(33)17-19/h2-6,11,16-18,20-22,30,36-37H,7-10,12-15H2,1H3,(H,35,40)/b11-6+
PubChem CID57344317
ChEMBLCHEMBL1922790
IUPHARN/A
BindingDB50359126
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
18522C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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