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Ligand

NameCHEMBL1921875
Molecular formulaC24H33Cl2N9O3
IUPAC name3-amino-5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-chloro-N-(2-hydroxyethyl)pyrazine-2-carboxamide
Molecular weight566.488
Hydrogen bond acceptor10
Hydrogen bond donor4
XlogP2.9
SynonymsBDBM50358626
SCHEMBL12899145
Inchi KeyAQQKZOGAQKRTLT-AWEZNQCLSA-N
Inchi IDInChI=1S/C24H33Cl2N9O3/c1-2-14-13-34(22-19(26)31-18(21(28)32-22)23(37)29-7-12-36)10-11-35(14)15-5-8-33(9-6-15)24(38)16-3-4-17(25)30-20(16)27/h3-4,14-15,36H,2,5-13H2,1H3,(H2,27,30)(H2,28,32)(H,29,37)/t14-/m0/s1
PubChem CID57397854
ChEMBLCHEMBL1921875
IUPHARN/A
BindingDB50358626
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
12025C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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