| Collection |
D4 : TTD |
| Chemical Name |
KR61639 ( From PubChem : A G N - P C - 0 B E O S T ) |
| 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 |
| 495.566 g/mol |
1 |
6 |
5.0955 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 1 H 2 9 N O 5 / c 1 - 3 1 ( 2 , 3 ) 3 7 - 2 7 ( 3 3 ) 1 8 - 3 6 - 2 0 - 1 4 - 1 2 - 1 9 ( 1 3 - 1 5 - 2 0 ) 1 6 - 2 4 - 2 8 ( 2 5 - 1 7 - 3 2 - 2 6 - 1 1 - 7 - 6 - 8 - 2 1 ( 2 5 ) 2 6 ) 2 2 - 9 - 4 - 5 - 1 0 - 2 3 ( 2 2 ) 2 9 ( 3 4 ) 3 0 ( 2 4 ) 3 5 / h 4 - 1 5 , 1 7 , 2 1 , 2 6 , 3 2 H , 1 6 , 1 8 H 2 , 1 - 3 H 3 / t 2 1 - , 2 6 - / m 0 / s 1 |
| InChIKey |
F U P V N X I R Q S P K M Z - L V X A R B L L 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
|
