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Name | CHEMBL565416 |
---|---|
Molecular formula | C29H36N4O5S2 |
IUPAC name | N-[(4R)-4-(3,4-dimethoxyphenyl)-4-(3-oxo-7-piperazin-1-yl-1H-isoindol-2-yl)butyl]-N-methylthiophene-2-sulfonamide |
Molecular weight | 584.75 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 3.5 |
Synonyms | thiophene-2-sulfonic acid [(4R)-4-(3,4-dimethoxy-phenyl)-4-(1-oxo-4-piperazin-1-yl-1,3-dihydro-isoindol-2-yl)-butyl]-methyl-amide BDBM50302262 CMIWIFCLMXWFBM-XMMPIXPASA-N (R)-N-(4-(3,4-dimethoxyphenyl)-4-(1-oxo-4-(piperazin-1-yl)isoindolin-2-yl)butyl)-N-methylthiophene-2-sulfonamide SCHEMBL2344489 |
Inchi Key | CMIWIFCLMXWFBM-XMMPIXPASA-N |
Inchi ID | InChI=1S/C29H36N4O5S2/c1-31(40(35,36)28-10-6-18-39-28)15-5-9-24(21-11-12-26(37-2)27(19-21)38-3)33-20-23-22(29(33)34)7-4-8-25(23)32-16-13-30-14-17-32/h4,6-8,10-12,18-19,24,30H,5,9,13-17,20H2,1-3H3/t24-/m1/s1 |
PubChem CID | 44597070 |
ChEMBL | CHEMBL565416 |
IUPHAR | N/A |
BindingDB | 50302262 |
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 |
---|---|---|---|---|---|
45368 | Urotensin-2 receptor | P49684 | Uts2r | Rattus norvegicus (Rat) | 386 |
45369 | Urotensin-2 receptor | Q9UKP6 | UTS2R | Homo sapiens (Human) | 389 |
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