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Name | CHEMBL568637 |
---|---|
Molecular formula | C31H40N4O5S2 |
IUPAC name | N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[3-oxo-7-(4-propan-2-ylpiperazin-1-yl)-1H-isoindol-2-yl]butyl]thiophene-2-sulfonamide |
Molecular weight | 612.804 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 4.5 |
Synonyms | BDBM50302258 SCHEMBL2342113 (R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-isopropylpiperazin-1-yl)-1-oxoisoindolin-2-yl)butyl)thiophene-2-sulfonamide |
Inchi Key | OIYJVYFIYZCHNR-AREMUKBSSA-N |
Inchi ID | InChI=1S/C31H40N4O5S2/c1-22(2)33-15-17-34(18-16-33)27-9-5-8-24-25(27)21-35(31(24)36)26(23-12-13-28(39-3)29(20-23)40-4)10-6-14-32-42(37,38)30-11-7-19-41-30/h5,7-9,11-13,19-20,22,26,32H,6,10,14-18,21H2,1-4H3/t26-/m1/s1 |
PubChem CID | 25125422 |
ChEMBL | CHEMBL568637 |
IUPHAR | N/A |
BindingDB | 50302258 |
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 |
---|---|---|---|---|---|
242535 | Urotensin-2 receptor | Q9UKP6 | UTS2R | Homo sapiens (Human) | 389 |
242536 | Urotensin-2 receptor | P49684 | Uts2r | Rattus norvegicus (Rat) | 386 |
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