| Collection |
D4 : TTD |
| Chemical Name |
2-(2-butoxypyrimidin-4-ylamino)benzoic acid ( From PubChem : 2 - [ ( 2 - B U T O X Y P Y R I M I D I N - 4 - Y L ) A M I N O ] B E N Z O I C A C I D ) |
| 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 |
| 287.314 g/mol |
2 |
5 |
3.1703 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 5 H 1 7 N 3 O 3 / c 1 - 2 - 3 - 1 0 - 2 1 - 1 5 - 1 6 - 9 - 8 - 1 3 ( 1 8 - 1 5 ) 1 7 - 1 2 - 7 - 5 - 4 - 6 - 1 1 ( 1 2 ) 1 4 ( 1 9 ) 2 0 / h 4 - 9 H , 2 - 3 , 1 0 H 2 , 1 H 3 , ( H , 1 9 , 2 0 ) ( H , 1 6 , 1 7 , 1 8 ) |
| InChIKey |
Y T F V M U T W N F D K I Y - U H F F F A O Y S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | MAPK8 | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
