| Collection |
D4 : TTD |
| Chemical Name |
Compound 19 ( From PubChem : C O M P O U N D 1 9 ) |
| 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 |
| 463.588 g/mol |
2 |
6 |
5.8659 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 7 H 2 9 N O 4 S / c 1 - 1 8 ( 2 8 - 1 4 - 2 - 3 - 1 5 - 2 8 ) 1 7 - 3 1 - 2 3 - 1 1 - 6 - 1 9 ( 7 - 1 2 - 2 3 ) 2 6 - 2 7 ( 2 0 - 4 - 8 - 2 1 ( 2 9 ) 9 - 5 - 2 0 ) 3 3 - 2 5 - 1 6 - 2 2 ( 3 0 ) 1 0 - 1 3 - 2 4 ( 2 5 ) 3 2 - 2 6 / h 4 - 1 3 , 1 6 , 1 8 , 2 6 - 2 7 , 2 9 - 3 0 H , 2 - 3 , 1 4 - 1 5 , 1 7 H 2 , 1 H 3 / t 1 8 - , 2 6 - , 2 7 - / m 0 / s 1 |
| InChIKey |
U Z O O I P X O Y Y J U L J - O A L G X E T F 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
|
