| Collection |
D4 : TTD |
| Chemical Name |
isochroman mono-carboxylic acid ( From PubChem : I S O C H R O M A N M O N O - C A R B O X Y L I C A C I D ) |
| 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 |
| 381.51 g/mol |
2 |
7 |
3.9381 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 8 H 2 3 N O 4 S 2 / c 2 0 - 1 7 ( 4 - 2 - 1 - 3 - 1 5 - 7 - 8 - 2 4 - 2 5 - 1 5 ) 1 9 - 1 4 - 6 - 5 - 1 2 - 1 0 - 1 6 ( 1 8 ( 2 1 ) 2 2 ) 2 3 - 1 1 - 1 3 ( 1 2 ) 9 - 1 4 / h 5 - 6 , 9 , 1 5 - 1 6 H , 1 - 4 , 7 - 8 , 1 0 - 1 1 H 2 , ( H , 1 9 , 2 0 ) ( H , 2 1 , 2 2 ) / t 1 5 - , 1 6 + / m 1 / s 1 |
| InChIKey |
K R Q H P R I B L J F G I T - C V E A R B P Z S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | PTPN1 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
