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Name | CHEMBL567759 |
---|---|
Molecular formula | C37H44N6O6S |
IUPAC name | N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide |
Molecular weight | 700.855 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 2 |
XlogP | 4.7 |
Synonyms | SCHEMBL1472329 BDBM50302253 N-((R)-4-(3,4-dimethoxyphenyl)-4-(1,3-dioxo-4-(4-((R)-1-phenylethyl)piperazin-1-yl)isoindolin-2-yl)butyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide |
Inchi Key | DJKJQQZHJKJZBN-PDDLMNHVSA-N |
Inchi ID | InChI=1S/C37H44N6O6S/c1-24-35(25(2)40-39-24)50(46,47)38-18-10-15-30(28-16-17-32(48-4)33(23-28)49-5)43-36(44)29-13-9-14-31(34(29)37(43)45)42-21-19-41(20-22-42)26(3)27-11-7-6-8-12-27/h6-9,11-14,16-17,23,26,30,38H,10,15,18-22H2,1-5H3,(H,39,40)/t26-,30-/m1/s1 |
PubChem CID | 23627666 |
ChEMBL | CHEMBL567759 |
IUPHAR | N/A |
BindingDB | 50302253 |
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 |
---|---|---|---|---|---|
61530 | Urotensin-2 receptor | Q9UKP6 | UTS2R | Homo sapiens (Human) | 389 |
61531 | Urotensin-2 receptor | P49684 | Uts2r | Rattus norvegicus (Rat) | 386 |
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