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Ligand

NameCHEMBL427396
Molecular formulaC23H26ClF3N4O2
IUPAC name2-amino-N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]-5-(trifluoromethyl)benzamide
Molecular weight482.932
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.2
SynonymsSCHEMBL4848457
AKNWXVJEVORFRQ-UHFFFAOYSA-N
1-(4-chlorobenzyl)-4-[{(N-(2-amino-5-trifluoromethylbenzoyl)glycyl)amino}methyl]piperidine
BDBM50187055
N-(2-((1-(4-chlorobenzyl)piperidin-4-yl)methylamino)-2-oxoethyl)-2-amino-5-(trifluoromethyl)benzamide
Inchi KeyAKNWXVJEVORFRQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26ClF3N4O2/c24-18-4-1-16(2-5-18)14-31-9-7-15(8-10-31)12-29-21(32)13-30-22(33)19-11-17(23(25,26)27)3-6-20(19)28/h1-6,11,15H,7-10,12-14,28H2,(H,29,32)(H,30,33)
PubChem CID9934977
ChEMBLCHEMBL427396
IUPHARN/A
BindingDB50187055
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
7726C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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