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Ligand

NameCHEMBL185283
Molecular formulaC22H26ClN3O2
IUPAC nameN-[3-[[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]methylamino]-3-oxopropyl]benzamide
Molecular weight399.919
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.2
SynonymsBDBM50153958
N-(2-{[1-(4-Chloro-benzyl)-pyrrolidin-2-ylmethyl]-carbamoyl}-ethyl)-benzamide
Inchi KeyAFBWBBDGWSYOIG-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H26ClN3O2/c23-19-10-8-17(9-11-19)16-26-14-4-7-20(26)15-25-21(27)12-13-24-22(28)18-5-2-1-3-6-18/h1-3,5-6,8-11,20H,4,7,12-16H2,(H,24,28)(H,25,27)
PubChem CID44395129
ChEMBLCHEMBL185283
IUPHARN/A
BindingDB50153958
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
4021C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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