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Name | CHEMBL245331 |
---|---|
Molecular formula | C29H33Cl2N3O3S |
IUPAC name | (2S)-1-(5-chloronaphthalen-2-yl)sulfonyl-N-[1-[2-(2-chlorophenyl)ethyl]piperidin-4-yl]-N-methylpyrrolidine-2-carboxamide |
Molecular weight | 574.561 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 6.2 |
Synonyms | (S)-N-(1-(2-chlorophenethyl)piperidin-4-yl)-1-(5-chloronaphthalen-2-ylsulfonyl)-N-methylpyrrolidine-2-carboxamide BDBM50209262 |
Inchi Key | DMOCNKLRPVVFNF-NDEPHWFRSA-N |
Inchi ID | InChI=1S/C29H33Cl2N3O3S/c1-32(23-14-18-33(19-15-23)17-13-21-6-2-3-8-26(21)30)29(35)28-10-5-16-34(28)38(36,37)24-11-12-25-22(20-24)7-4-9-27(25)31/h2-4,6-9,11-12,20,23,28H,5,10,13-19H2,1H3/t28-/m0/s1 |
PubChem CID | 44440075 |
ChEMBL | CHEMBL245331 |
IUPHAR | N/A |
BindingDB | 50209262 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
63875 | C-C chemokine receptor type 4 | P51679 | CCR4 | Homo sapiens (Human) | 360 |
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