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Name | TAK-220 |
---|---|
Molecular formula | C31H41ClN4O3 |
IUPAC name | 1-acetyl-N-[3-[4-[(4-carbamoylphenyl)methyl]piperidin-1-yl]propyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide |
Molecular weight | 553.144 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 4.2 |
Synonyms | 1-acetyl-N-[3-[4-[(4-carbamoylphenyl)methyl]-1-piperidyl]propyl]-N-(3-chloro-4-methyl-phenyl)piperidine-4-carboxamide 928QIN0R16 D0O9UC TAK 220;TAK220 333994-00-6 [ Show all ] |
Inchi Key | ASSJTMUEFHUKMJ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H41ClN4O3/c1-22-4-9-28(21-29(22)32)36(31(39)27-12-18-35(19-13-27)23(2)37)15-3-14-34-16-10-25(11-17-34)20-24-5-7-26(8-6-24)30(33)38/h4-9,21,25,27H,3,10-20H2,1-2H3,(H2,33,38) |
PubChem CID | 5275766 |
ChEMBL | CHEMBL207004 |
IUPHAR | 800 |
BindingDB | 50185979 |
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 |
---|---|---|---|---|---|
13479 | C-C chemokine receptor type 5 | P51681 | CCR5 | Homo sapiens (Human) | 352 |
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