| Collection |
D4 : TTD |
| Chemical Name |
USIMINE A ( From PubChem : U S I M I N E A ) |
| 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 |
| 487.456 g/mol |
4 |
11 |
1.9555 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 4 H 2 5 N O 1 0 / c 1 - 9 - 1 9 ( 2 9 ) 1 7 ( 1 1 ( 3 ) 2 6 ) 2 1 - 1 8 ( 2 0 ( 9 ) 3 0 ) 2 4 ( 4 ) 1 4 ( 3 5 - 2 1 ) 8 - 1 3 ( 2 7 ) 1 6 ( 2 2 ( 2 4 ) 3 1 ) 1 0 ( 2 ) 2 5 - 1 2 ( 2 3 ( 3 2 ) 3 3 ) 6 - 7 - 1 5 ( 2 8 ) 3 4 - 5 / h 8 , 1 2 , 2 5 , 2 9 - 3 0 H , 6 - 7 H 2 , 1 - 5 H 3 , ( H , 3 2 , 3 3 ) / b 1 6 - 1 0 + / t 1 2 - , 2 4 - / m 0 / s 1 |
| InChIKey |
K S W P D J N H L S R G K Z - W G B S B U B I 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
|
