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Ligand

NameCHEMBL290845
Molecular formulaC28H30Cl2N4O3S
IUPAC name2-[(2R,5R)-2-(2,4-dichlorophenyl)-3-[2-[[2-(dimethylamino)acetyl]amino]ethyl]-4-oxo-1,3-thiazolidin-5-yl]-N-(naphthalen-1-ylmethyl)acetamide
Molecular weight573.533
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.5
Synonyms2-{(2R,5R)-2-(2,4-Dichloro-phenyl)-3-[2-(2-dimethylamino-acetylamino)-ethyl]-4-oxo-thiazolidin-5-yl}-N-naphthalen-1-ylmethyl-acetamide
BDBM50142419
Inchi KeyBKRWVQBKJVTPBW-UFHPHHKVSA-N
Inchi IDInChI=1S/C28H30Cl2N4O3S/c1-33(2)17-26(36)31-12-13-34-27(37)24(38-28(34)22-11-10-20(29)14-23(22)30)15-25(35)32-16-19-8-5-7-18-6-3-4-9-21(18)19/h3-11,14,24,28H,12-13,15-17H2,1-2H3,(H,31,36)(H,32,35)/t24-,28-/m1/s1
PubChem CID44288962
ChEMBLCHEMBL290845
IUPHARN/A
BindingDB50142419
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
26110C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360

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