| Collection |
D4 : TTD |
| Chemical Name |
Compound 15 ( From PubChem : C O M P O U N D 1 5 ) |
| 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 |
| 477.615 g/mol |
2 |
6 |
5.9694 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 8 H 3 1 N O 4 S / c 1 - 1 8 - 1 6 - 2 9 ( 1 7 - 1 9 ( 1 8 ) 2 ) 1 3 - 1 4 - 3 2 - 2 4 - 1 0 - 5 - 2 0 ( 6 - 1 1 - 2 4 ) 2 7 - 2 8 ( 2 1 - 3 - 7 - 2 2 ( 3 0 ) 8 - 4 - 2 1 ) 3 4 - 2 6 - 1 5 - 2 3 ( 3 1 ) 9 - 1 2 - 2 5 ( 2 6 ) 3 3 - 2 7 / h 3 - 1 2 , 1 5 , 1 8 - 1 9 , 2 7 - 2 8 , 3 0 - 3 1 H , 1 3 - 1 4 , 1 6 - 1 7 H 2 , 1 - 2 H 3 / t 1 8 - , 1 9 - , 2 7 - , 2 8 - / m 0 / s 1 |
| InChIKey |
C O J F A S L R E N Z F L P - H V Y Z T V O G 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
|
