| Collection |
D4 : TTD |
| Chemical Name |
Sp7343-Sp7964 ( From PubChem : S P 7 3 4 3 - S P 7 9 6 4 ) |
| 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 |
| 469.578 g/mol |
4 |
12 |
2.2698 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 9 H 2 7 N 5 O 5 S 2 / c 1 - 1 2 ( 2 5 ) 2 0 - 8 - 1 0 - 3 0 - 3 1 - 1 1 - 9 - 2 3 - 1 7 ( 2 6 ) 1 3 - 2 - 4 - 1 4 ( 5 - 3 - 1 3 ) 2 4 - 1 8 ( 2 7 ) 1 5 - 1 6 ( 1 9 ( 2 8 ) 2 9 ) 2 2 - 7 - 6 - 2 1 - 1 5 / h 6 - 7 , 1 3 - 1 4 H , 2 - 5 , 8 - 1 1 H 2 , 1 H 3 , ( H , 2 0 , 2 5 ) ( H , 2 3 , 2 6 ) ( H , 2 4 , 2 7 ) ( H , 2 8 , 2 9 ) / t 1 3 - , 1 4 + |
| InChIKey |
O M S K F A Y I W R O E S Z - O K I L X G F 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
|
