| Collection |
D4 : TTD |
| Chemical Name |
PG-116800 ( From PubChem : P G E 5 3 0 7 4 2 ) |
| 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 |
| 487.526 g/mol |
3 |
10 |
2.4972 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 3 H 2 5 N 3 O 7 S / c 1 - 3 2 - 1 9 - 8 - 4 - 1 7 ( 5 - 9 - 1 9 ) 2 2 ( 2 7 ) 2 4 - 1 8 - 6 - 1 0 - 2 0 ( 1 1 - 7 - 1 8 ) 3 4 ( 3 0 , 3 1 ) 2 5 - 2 1 ( 2 3 ( 2 8 ) 2 9 ) 3 - 2 - 1 2 - 2 6 - 1 3 - 1 5 - 3 3 - 1 6 - 1 4 - 2 6 / h 4 - 1 1 , 2 1 , 2 5 H , 1 2 - 1 6 H 2 , 1 H 3 , ( H , 2 4 , 2 7 ) ( H , 2 8 , 2 9 ) / t 2 1 - / m 0 / s 1 |
| InChIKey |
W J D D D F U B T Y N D P P - N R F A N R H F S A - N
|
| Links |
|
Gene
(3 /
11)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Multitarget | MMP2 | | | Discontinued target | | TTD | Inhibitor | MMP2 | | | Discontinued target | | TTD | Drug(s) | MMP2 | | | Discontinued target | | TTD | Multitarget | MMP3 | | | Discontinued target | | TTD | Inhibitor | MMP3 | | | Discontinued target | | TTD | Inhibitor | MMP3 | | | Discontinued target | | TTD | Drug(s) | MMP3 | | | Discontinued target | | TTD | Drug(s) | MMP3 | | | Discontinued target | | TTD | Multitarget | MMP9 | | | Discontinued target | | TTD | Inhibitor | MMP9 | | | Discontinued target | | TTD | Drug(s) | MMP9 | | | Discontinued target |
|
| Download gene sets |
gmt, text, Detailed text
|
