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Ligand

NameCHEMBL415902
Molecular formulaC33H36Cl2N4O4S
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-phenylphenyl)methyl]acetamide
Molecular weight655.635
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.8
SynonymsBDBM50142358
2-[(2R,5R)-5-{[(Biphenyl-2-ylmethyl)-carbamoyl]-methyl}-2-(2,4-dichloro-phenyl)-4-oxo-thiazolidin-3-yl]-N-(3-morpholin-4-yl-propyl)-acetamide
Inchi KeyBERFBIKLVBZVIF-CYTLCNBWSA-N
Inchi IDInChI=1S/C33H36Cl2N4O4S/c34-25-11-12-27(28(35)19-25)33-39(22-31(41)36-13-6-14-38-15-17-43-18-16-38)32(42)29(44-33)20-30(40)37-21-24-9-4-5-10-26(24)23-7-2-1-3-8-23/h1-5,7-12,19,29,33H,6,13-18,20-22H2,(H,36,41)(H,37,40)/t29-,33-/m1/s1
PubChem CID44289063
ChEMBLCHEMBL415902
IUPHARN/A
BindingDB50142358
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
21829C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360

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