| Collection |
D4 : TTD |
| Chemical Name |
Ro-31-4724 ( From PubChem : C H E M B L 9 2 6 0 8 ) |
| 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 |
| 401.498 g/mol |
4 |
9 |
2.3156 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 9 H 3 5 N 3 O 6 / c 1 - 7 - 2 8 - 1 9 ( 2 6 ) 1 3 ( 6 ) 2 0 - 1 8 ( 2 5 ) 1 5 ( 9 - 1 2 ( 4 ) 5 ) 2 1 - 1 7 ( 2 4 ) 1 4 ( 8 - 1 1 ( 2 ) 3 ) 1 0 - 1 6 ( 2 3 ) 2 2 - 2 7 / h 1 1 - 1 5 , 2 7 H , 7 - 1 0 H 2 , 1 - 6 H 3 , ( H , 2 0 , 2 5 ) ( H , 2 1 , 2 4 ) ( H , 2 2 , 2 3 ) / t 1 3 - , 1 4 - , 1 5 - / m 0 / s 1 |
| InChIKey |
X K R O N J X E X G F B R Z - K K U M J F A Q S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | MMP1 | | | Discontinued target |
|
| Download gene sets |
gmt, text, Detailed text
|
