| Collection |
D4 : TTD |
| Chemical Name |
lithospermic acid ( From PubChem : L I T H O S P E R M I C A C I D ) |
| 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 |
| 538.456 g/mol |
7 |
12 |
2.7688 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 7 H 2 2 O 1 2 / c 2 8 - 1 5 - 5 - 1 - 1 2 ( 9 - 1 8 ( 1 5 ) 3 1 ) 1 0 - 2 0 ( 2 6 ( 3 4 ) 3 5 ) 3 8 - 2 1 ( 3 3 ) 8 - 4 - 1 3 - 2 - 7 - 1 7 ( 3 0 ) 2 5 - 2 2 ( 1 3 ) 2 3 ( 2 7 ( 3 6 ) 3 7 ) 2 4 ( 3 9 - 2 5 ) 1 4 - 3 - 6 - 1 6 ( 2 9 ) 1 9 ( 3 2 ) 1 1 - 1 4 / h 1 - 9 , 1 1 , 2 0 , 2 3 - 2 4 , 2 8 - 3 2 H , 1 0 H 2 , ( H , 3 4 , 3 5 ) ( H , 3 6 , 3 7 ) / b 8 - 4 + / t 2 0 - , 2 3 + , 2 4 - / m 1 / s 1 |
| InChIKey |
U J Z Q B M Q Z M K F S R V - R G K B J L T C S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | MMP2 | | | Discontinued target |
|
| Download gene sets |
gmt, text, Detailed text
|
