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Name | CHEMBL43758 |
---|---|
Molecular formula | C31H34Cl2N4O4S |
IUPAC name | 2-[(2R,5R)-2-(2,3-dichlorophenyl)-3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-5-yl]-N-(naphthalen-1-ylmethyl)acetamide |
Molecular weight | 629.597 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 4.5 |
Synonyms | BDBM50142373 2-((1R,4R)-2-(2,3-Dichloro-phenyl)-5-{[(naphthalen-1-ylmethyl)-carbamoyl]-methyl}-4-oxo-thiazolidin-3-yl)-N-(3-morpholin-4-yl-propyl)-acetamide |
Inchi Key | DWBNDBPNTDYBBR-MXBOTTGLSA-N |
Inchi ID | InChI=1S/C31H34Cl2N4O4S/c32-25-11-4-10-24(29(25)33)31-37(20-28(39)34-12-5-13-36-14-16-41-17-15-36)30(40)26(42-31)18-27(38)35-19-22-8-3-7-21-6-1-2-9-23(21)22/h1-4,6-11,26,31H,5,12-20H2,(H,34,39)(H,35,38)/t26-,31-/m1/s1 |
PubChem CID | 44288827 |
ChEMBL | CHEMBL43758 |
IUPHAR | N/A |
BindingDB | 50142373 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
70450 | C-C chemokine receptor type 4 | P51679 | CCR4 | Homo sapiens (Human) | 360 |
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