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Ligand

NameCHEMBL1921861
Molecular formulaC24H33Cl2N7O2
IUPAC name3-amino-6-chloro-5-[(3S)-4-[1-[1-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]pyrazine-2-carboxamide
Molecular weight522.475
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP3.4
SynonymsBDBM50358612
SCHEMBL12910894
Inchi KeyBEDXTIAESLFPBE-KKFHFHRHSA-N
Inchi IDInChI=1S/C24H33Cl2N7O2/c1-2-17-13-32(24-21(26)29-20(23(28)35)22(27)30-24)11-12-33(17)18-7-9-31(10-8-18)19(14-34)15-3-5-16(25)6-4-15/h3-6,17-19,34H,2,7-14H2,1H3,(H2,27,30)(H2,28,35)/t17-,19?/m0/s1
PubChem CID11996051
ChEMBLCHEMBL1921861
IUPHARN/A
BindingDB50358612
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
21481C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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