Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0PG7V
|
|||
| Drug Name |
Acocantherin
|
|||
| Synonyms |
Ouabain; Ouabagenin L-Rhamnoside; Ouabagenin L-rhamnoside; Acocantherin; Acocantherine; Acolongifloroside K; Astrobain; G-Strophanthin; G-Strophanthin (JAN); G-Strophicor; Gratibain; Gratus strophanthin; Kombetin; O 3125; OBN; Ouabagenin-L-rhamnosid; Ouabagenin-L-rhamnosid [German]; Ouabain (anhydrous); Ouabain anhydrous; Ouabain octahydrate; Ouabain, Octahydrate; Ouabaine; Oubain; Purostrophan; Quabain; Rectobaina; Solufantina; Strodival; Strophalen; Strophanthin G; Strophanthin-G; Strophoperm; Strophosan; Uabaina; Uabanin
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Middle East Respiratory Syndrome (MERS) [ICD-11: 1D64] | Investigative | [1], [2] | |
| Therapeutic Class |
Antiviral Agents
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C29H44O12
|
|||
| Canonical SMILES |
CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O
|
|||
| InChI |
1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
|
|||
| InChIKey |
LPMXVESGRSUGHW-HBYQJFLCSA-N
|
|||
| CAS Number |
CAS 630-60-4
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID |
4621, 598376, 7847180, 7889527, 7980210, 8011283, 10298350, 11466499, 11467619, 11486277, 11533037, 14838096, 15981102, 17405501, 24278610, 26746568, 29204593, 36883713, 46392206, 46505479, 47291380, 47736758, 48035407, 48035408, 48185244, 48334784, 49698509, 49834233, 53778049, 53787305, 57287889, 57403052, 75081902, 85182289, 85231346, 85788049, 87351514, 87575707, 90340653, 92092794, 92304198, 92308875, 95614231, 99431516, 103511767, 104038270, 104128310, 104620666, 121361712, 121404260
|
|||
| ChEBI ID |
CHEBI:472805
|
|||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | HUMAN sodium pump subunit alpha-1 (ATP1A1) | Target Info | Inhibitor | [1], [2] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Coronaviruses - drug discovery and therapeutic options. Nat Rev Drug Discov. 2016 May;15(5):327-47. | |||
| REF 2 | The 14-3-3 Protein Translates the NA+,K+-ATPase {alpha}1-subunit Phosphorylation Signal Into Binding and Activation of Phosphoinositide 3-kinase During Endocytosis J Biol Chem. 2005 Apr 22;280(16):16272-7. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.