| Collection |
D4 : TTD |
| Chemical Name |
SR-973 ( From PubChem : C H E M B L 2 0 4 3 5 7 ) |
| 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 |
| 523.664 g/mol |
3 |
8 |
5.7799 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 0 H 4 1 N 3 O 5 / c 1 - 4 - 1 1 - 2 5 ( 2 9 ( 3 5 ) 3 2 - 3 7 ) 2 6 ( 1 8 - 2 1 ( 2 ) 3 ) 2 8 ( 3 4 ) 3 1 - 2 7 - 1 6 - 8 - 9 - 1 7 - 3 3 ( 3 0 ( 2 7 ) 3 6 ) 2 0 - 2 2 - 1 2 - 1 0 - 1 5 - 2 4 ( 1 9 - 2 2 ) 3 8 - 2 3 - 1 3 - 6 - 5 - 7 - 1 4 - 2 3 / h 5 - 7 , 1 0 , 1 2 - 1 5 , 1 9 , 2 1 , 2 5 - 2 7 , 3 7 H , 4 , 8 - 9 , 1 1 , 1 6 - 1 8 , 2 0 H 2 , 1 - 3 H 3 , ( H , 3 1 , 3 4 ) ( H , 3 2 , 3 5 ) / t 2 5 - , 2 6 + , 2 7 - / m 0 / s 1 |
| InChIKey |
W I C Q D D C N C V T F D X - V J G N E R B W S A - N
|
| Links |
|
Gene
(9 /
9)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | ADAM17 | | | Research target | | TTD | Inhibitor | APP | | | Successful target | | TTD | Inhibitor | MMP1 | | | Discontinued target | | TTD | Inhibitor | MMP13 | | | Discontinued target | | TTD | Inhibitor | MMP14 | | | Discontinued target | | TTD | Inhibitor | MMP2 | | | Discontinued target | | TTD | Inhibitor | MMP21 | | | Research target | | TTD | Inhibitor | MMP7 | | | Discontinued target | | TTD | Inhibitor | MMP9 | | | Discontinued target |
|
| Download gene sets |
gmt, text, Detailed text
|
