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Ligand

NameCHEMBL578189
Molecular formulaC30H29F4N5O3S
IUPAC nameN-[(1R)-1-[3-(4-cyanophenyl)-8-ethylimidazo[1,2-a]pyrazin-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide
Molecular weight615.648
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP5.0
SynonymsBDBM50300902
(R)-N-(1-(3-(4-cyanophenyl)-8-ethylimidazo[1,2-a]pyrazin-2-yl)ethyl)-N-(2-(ethylsulfonyl)ethyl)-2-(3-fluoro-4-(trifluoromethyl)phenyl)acetamide
Inchi KeyBFGBZPORMXRQPQ-LJQANCHMSA-N
Inchi IDInChI=1S/C30H29F4N5O3S/c1-4-25-29-37-27(28(39(29)13-12-36-25)22-9-6-20(18-35)7-10-22)19(3)38(14-15-43(41,42)5-2)26(40)17-21-8-11-23(24(31)16-21)30(32,33)34/h6-13,16,19H,4-5,14-15,17H2,1-3H3/t19-/m1/s1
PubChem CID45486525
ChEMBLCHEMBL578189
IUPHARN/A
BindingDB50300902
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
22280C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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