Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0NQ0B
|
|||
| Former ID |
DIB021239
|
|||
| Drug Name |
XNT
|
|||
| Synonyms |
86456-22-6; NSC354677; 9H-Xanthen-9-one, 1-((2-(dimethylamino)ethyl)amino)-4-(hydroxymethyl)-7-(((4-methylphenyl)sulfonyl)oxy)-; [8-(2-dimethylaminoethylamino)-5-(hydroxymethyl)-9-oxoxanthen-2-yl] 4-methylbenzenesulfonate; 8-((2-(Dimethylamino)ethyl)amino)-5-(hydroxymethyl)-9-oxo-9H-xanthen-2-yl 4-methylbenzenesulfonate; 9H-Xanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-4-(hydroxymethyl)-7-[[(4-methylphenyl)sulfonyl]oxy]-
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
 |
Download2D MOL
|
||
| Formula |
C25H26N2O6S
|
|||
| Canonical SMILES |
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)OC4=C(C=CC(=C4C3=O)NCCN(C)C)CO
|
|||
| InChI |
1S/C25H26N2O6S/c1-16-4-8-19(9-5-16)34(30,31)33-18-7-11-22-20(14-18)24(29)23-21(26-12-13-27(2)3)10-6-17(15-28)25(23)32-22/h4-11,14,26,28H,12-13,15H2,1-3H3
|
|||
| InChIKey |
SEVKFSGZVZFIMA-UHFFFAOYSA-N
|
|||
| CAS Number |
CAS 86456-22-6
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Angiotensin-converting enzyme 2 (ACE2) | Target Info | Activator | [1] |
| KEGG Pathway | Renin-angiotensin system | |||
| Protein digestion and absorption | ||||
| Reactome | Metabolism of Angiotensinogen to Angiotensins | |||
| WikiPathways | ACE Inhibitor Pathway | |||
| Metabolism of Angiotensinogen to Angiotensins | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Structure-based identification of small-molecule angiotensin-converting enzyme 2 activators as novel antihypertensive agents. Hypertension. 2008 May;51(5):1312-7. | |||
| REF 2 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7867). | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.