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Name | Domitroban |
---|---|
Molecular formula | C20H27NO4S |
IUPAC name | (Z)-7-[(1R,2S,3S,4S)-3-(benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid |
Molecular weight | 377.499 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 3.6 |
Synonyms | (Z)-7-[(1R,2S,3S,4S)-3-(benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid 5-Heptenoic acid, 7-((1R,2S,3S,4S)-3-((phenylsulfonyl)amino)bicyclo(2.2.1)hept-2-yl)-, (5Z)- Calcium 5,7-(3-phenylsulfonylaminobicyclo(2.2.1)hept-2-yl)-5-heptenoate hydrate Domitroban, (+/-)- SCHEMBL361564 [ Show all ] |
Inchi Key | PWTCIBWRMQFJBC-ZEMKZVSASA-N |
Inchi ID | InChI=1S/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16+,18+,20+/m1/s1 |
PubChem CID | 5312138 |
ChEMBL | N/A |
IUPHAR | 1984, 1979 |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
554618 | Thromboxane A2 receptor | P21731 | TBXA2R | Homo sapiens (Human) | 343 |
554619 | Thromboxane A2 receptor | P30987 | Tbxa2r | Mus musculus (Mouse) | 341 |
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