| Collection |
D4 : TTD |
| Chemical Name |
ISOTHIAZOLIDINONE ANALOG ( From PubChem : I S O T H I A Z O L I D I N O N E A N A L O G ) |
| 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 |
| 486.541 g/mol |
4 |
10 |
2.7291 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 3 H 2 6 N 4 O 6 S / c 1 - 1 4 ( 2 8 ) 2 5 - 1 9 ( 1 2 - 1 5 - 5 - 3 - 2 - 4 - 6 - 1 5 ) 2 3 ( 3 1 ) 2 6 - 1 8 ( 2 2 ( 2 4 ) 3 0 ) 1 1 - 1 6 - 7 - 9 - 1 7 ( 1 0 - 8 - 1 6 ) 2 0 - 1 3 - 2 1 ( 2 9 ) 2 7 - 3 4 ( 2 0 , 3 2 ) 3 3 / h 2 - 1 0 , 1 8 - 2 0 H , 1 1 - 1 3 H 2 , 1 H 3 , ( H 2 , 2 4 , 3 0 ) ( H , 2 5 , 2 8 ) ( H , 2 6 , 3 1 ) ( H , 2 7 , 2 9 ) / t 1 8 - , 1 9 - , 2 0 - / m 0 / s 1 |
| InChIKey |
U I L Y P H A K D B T K Q V - U F Y C R D L U S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | PTPN1 | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
