| Collection |
D4 : TTD |
| Chemical Name |
CRA_10655 ( From PubChem : 2 - [ 5 - [ A M I N O ( A Z A N I U M Y L I D E N E ) M E T H Y L ] - 2 H - B E N Z I M I D A Z O L - 1 - I U M - 2 - Y L ] - 6 - C Y C L O P E N T Y L O X Y P H E N O L A T E ) |
| 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 |
| 337.396 g/mol |
3 |
4 |
0.3535 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 9 H 2 0 N 4 O 2 / c 2 0 - 1 8 ( 2 1 ) 1 1 - 8 - 9 - 1 4 - 1 5 ( 1 0 - 1 1 ) 2 3 - 1 9 ( 2 2 - 1 4 ) 1 3 - 6 - 3 - 7 - 1 6 ( 1 7 ( 1 3 ) 2 4 ) 2 5 - 1 2 - 4 - 1 - 2 - 5 - 1 2 / h 3 , 6 - 1 0 , 1 2 , 1 9 , 2 4 H , 1 - 2 , 4 - 5 H 2 , ( H 3 , 2 0 , 2 1 ) / p + 1 / t 1 9 - / m 1 / s 1 |
| InChIKey |
K N R K S V B V U R V Z J I - L J Q A N C H M S A - O
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | PLAU | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
