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Ligand

NameCHEMBL1921873
Molecular formulaC26H38Cl2N8O3S
IUPAC name3-amino-6-chloro-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-[2-(methanesulfonamido)ethyl]pyrazine-2-carboxamide
Molecular weight613.603
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP3.6
SynonymsBDBM50358624
SCHEMBL12911322
Inchi KeyBQOUEGKIAFOJQC-FQEVSTJZSA-N
Inchi IDInChI=1S/C26H38Cl2N8O3S/c1-3-20-17-35(25-23(28)32-22(24(29)33-25)26(37)30-10-11-31-40(2,38)39)14-15-36(20)21-8-12-34(13-9-21)16-18-4-6-19(27)7-5-18/h4-7,20-21,31H,3,8-17H2,1-2H3,(H2,29,33)(H,30,37)/t20-/m0/s1
PubChem CID57396054
ChEMBLCHEMBL1921873
IUPHARN/A
BindingDB50358624
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
30499C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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