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Ligand

NameCHEMBL3604306
Molecular formulaC28H26ClN5O2
IUPAC name4-cyano-N-[[8-[[(4-cyanobenzoyl)amino]methyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium-6-yl]methyl]benzamide;chloride
Molecular weight499.999
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogPNone
SynonymsBDBM50109890
Inchi KeyBAABATGYVBICBT-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H25N5O2.ClH/c1-18-24(16-31-27(34)22-9-5-20(14-29)6-10-22)19(2)33-13-3-4-26(33)25(18)17-32-28(35)23-11-7-21(15-30)8-12-23;/h5-12H,3-4,13,16-17H2,1-2H3,(H-,31,32,34,35);1H
PubChem CID122185628
ChEMBLCHEMBL3604306
IUPHARN/A
BindingDB50109890
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
465164C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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