| Collection |
D4 : TTD |
| Chemical Name |
KT-5720 ( From PubChem : C H E M B L 6 0 8 5 3 2 ) |
| FDA |
NPC |
WHO |
Indian |
Australia |
China |
Traditional
Herbal |
Clinical
Trail |
| Not | Not | Not | Not | Not | Not | Not | Not |
|
Molecular
Weight |
Hydrogen Bond
Donor Count |
Hydrogen Bond
Acceptor Count |
cLogP |
Lipinski Rule |
| 537.606 g/mol |
2 |
8 |
5.9344 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 2 H 3 1 N 3 O 5 / c 1 - 3 - 4 - 5 - 1 0 - 1 5 - 3 9 - 3 0 ( 3 7 ) 3 2 ( 3 8 ) 1 6 - 2 3 - 3 4 - 2 1 - 1 3 - 8 - 6 - 1 1 - 1 8 ( 2 1 ) 2 5 - 2 6 - 2 0 ( 1 7 - 3 3 - 2 9 ( 2 6 ) 3 6 ) 2 4 - 1 9 - 1 2 - 7 - 9 - 1 4 - 2 2 ( 1 9 ) 3 5 ( 2 8 ( 2 4 ) 2 7 ( 2 5 ) 3 4 ) 3 1 ( 3 2 , 2 ) 4 0 - 2 3 / h 6 - 9 , 1 1 - 1 4 , 2 3 , 3 8 H , 3 - 5 , 1 0 , 1 5 - 1 7 H 2 , 1 - 2 H 3 , ( H , 3 3 , 3 6 ) / t 2 3 - , 3 1 + , 3 2 + / m 1 / s 1 |
| InChIKey |
Z H E H V Z X P F V X K E Y - M W O Z D U B J S A - N
|
| Links |
|
Gene
(8 /
8)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | MAPK1 | | | Research target | | TTD | Inhibitor | MAPK11 | | | Research target | | TTD | Inhibitor | MAPK12 | | | Clinical trial target | | TTD | Inhibitor | MAPK14 | | | Clinical trial target | | TTD | Inhibitor | MAPK8 | | | Clinical trial target | | TTD | Inhibitor | PRKCA | | | Clinical trial target | | TTD | Inhibitor | ROCK1 | | | Clinical trial target | | TTD | Inhibitor | RPS6KB1 | | | Discontinued target |
|
| Download gene sets |
gmt, text, Detailed text
|
