| Collection |
D4 : TTD |
| Chemical Name |
PNU177836 ( From PubChem : P N U 1 7 7 8 3 6 ) |
| 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 |
| 605.72 g/mol |
8 |
12 |
3.2301 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 1 H 4 7 N 3 O 9 / c 1 - 5 - 6 - 1 0 - 1 5 - 3 2 - 2 7 ( 3 7 ) 2 3 ( 1 8 - 2 1 - 1 3 - 1 4 - 2 5 ( 4 2 - 1 9 - 2 6 ( 3 5 ) 3 6 ) 2 2 ( 1 6 - 2 1 ) 2 9 ( 3 9 ) 4 0 ) 3 3 - 2 8 ( 3 8 ) 2 4 ( 1 7 - 2 0 - 1 1 - 8 - 7 - 9 - 1 2 - 2 0 ) 3 4 - 3 0 ( 4 1 ) 4 3 - 3 1 ( 2 , 3 ) 4 / h 7 - 9 , 1 1 - 1 4 , 1 6 , 2 3 - 2 4 , 2 7 - 2 8 , 3 0 , 3 2 - 3 4 , 3 7 - 3 8 , 4 1 H , 5 - 6 , 1 0 , 1 5 , 1 7 - 1 9 H 2 , 1 - 4 H 3 , ( H , 3 5 , 3 6 ) ( H , 3 9 , 4 0 ) / t 2 3 - , 2 4 - , 2 7 + , 2 8 - , 3 0 - / m 0 / s 1 |
| InChIKey |
W V F J F Y A D A T X B B E - J I F Q Q K S 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
|
