| Collection |
D4 : TTD |
| Chemical Name |
TI4 ( From PubChem : D N C 0 0 1 4 4 3 ) |
| 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 |
| 669.69 g/mol |
5 |
9 |
5.374 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 5 H 9 N 5 O 5 S 2 . C 1 5 H 1 4 N 4 O / c 2 1 - 1 0 - 8 - 7 ( 5 - 1 - 3 - 6 ( 4 - 2 - 5 ) 2 0 ( 2 3 ) 2 4 ) 9 - 1 1 ( 2 2 ) 1 7 - 1 5 ( 2 7 ) 1 9 - 1 3 ( 9 ) 2 5 - 1 2 ( 8 ) 1 8 - 1 4 ( 2 6 ) 1 6 - 1 0 ; 1 - 9 - 6 - 8 - 1 7 - 1 4 - 1 2 ( 9 ) 1 8 - 1 5 ( 2 0 ) 1 1 - 3 - 2 - 7 - 1 6 - 1 3 ( 1 1 ) 1 9 ( 1 4 ) 1 0 - 4 - 5 - 1 0 / h 1 - 4 , 7 H , ( H 2 , 1 6 , 1 8 , 2 1 , 2 6 ) ( H 2 , 1 7 , 1 9 , 2 2 , 2 7 ) ; 2 - 3 , 6 - 8 , 1 0 H , 4 - 5 H 2 , 1 H 3 , ( H , 1 8 , 2 0 ) |
| InChIKey |
A Z W L W P R K A X Y X I C - U H F F F A O Y S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | PARP1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
