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Ligand

NameCHEMBL1921877
Molecular formulaC26H36Cl2N8O2
IUPAC name5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-tert-butyl-6-chloropyrazine-2-carboxamide
Molecular weight563.528
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.4
SynonymsBDBM50358628
SCHEMBL12899300
Inchi KeyBJYRCSZRYLMYPY-INIZCTEOSA-N
Inchi IDInChI=1S/C26H36Cl2N8O2/c1-5-16-15-35(23-21(28)31-19(14-30-23)24(37)33-26(2,3)4)12-13-36(16)17-8-10-34(11-9-17)25(38)18-6-7-20(27)32-22(18)29/h6-7,14,16-17H,5,8-13,15H2,1-4H3,(H2,29,32)(H,33,37)/t16-/m0/s1
PubChem CID57397855
ChEMBLCHEMBL1921877
IUPHARN/A
BindingDB50358628
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
25569C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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