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Ligand

NameCHEMBL2164220
Molecular formulaC25H32ClN5O2S
IUPAC name6-chloro-N-[(3R)-3-[4-[(2-cyanoacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
Molecular weight502.074
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.8
SynonymsSCHEMBL3757013
6-chloro-N-[(3R)-3-[4-[(2-cyanoacetyl)-(3-thienylmethyl)amino]-1-piperidyl]butyl]-2,4-dimethyl-pyridine-3-carboxamide
BDBM50394598
Inchi KeyALMMUBAXVULMLF-GOSISDBHSA-N
Inchi IDInChI=1S/C25H32ClN5O2S/c1-17-14-22(26)29-19(3)24(17)25(33)28-10-5-18(2)30-11-6-21(7-12-30)31(23(32)4-9-27)15-20-8-13-34-16-20/h8,13-14,16,18,21H,4-7,10-12,15H2,1-3H3,(H,28,33)/t18-/m1/s1
PubChem CID15940801
ChEMBLCHEMBL2164220
IUPHARN/A
BindingDB50394598
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8401C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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