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Ligand

NameCHEMBL296152
Molecular formulaC28H30Cl2F4N4O4S
IUPAC name2-[(2R,5R)-2-(2,4-dichlorophenyl)-3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-5-yl]-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide
Molecular weight665.526
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP4.2
Synonyms2-{(2R,5R)-2-(2,4-Dichloro-phenyl)-5-[(2-fluoro-3-trifluoromethyl-benzylcarbamoyl)-methyl]-4-oxo-thiazolidin-3-yl}-N-(3-morpholin-4-yl-propyl)-acetamide
BDBM50142425
Inchi KeyATSHVDRMGVTRMT-AJTFRIOCSA-N
Inchi IDInChI=1S/C28H30Cl2F4N4O4S/c29-18-5-6-19(21(30)13-18)27-38(16-24(40)35-7-2-8-37-9-11-42-12-10-37)26(41)22(43-27)14-23(39)36-15-17-3-1-4-20(25(17)31)28(32,33)34/h1,3-6,13,22,27H,2,7-12,14-16H2,(H,35,40)(H,36,39)/t22-,27-/m1/s1
PubChem CID44289340
ChEMBLCHEMBL296152
IUPHARN/A
BindingDB50142425
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
14289C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360

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