| Collection |
D4 : TTD |
| Chemical Name |
BZ6 ( From PubChem : D N C 0 0 0 3 7 1 ) |
| 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 |
| 2626.84 g/mol |
0 |
10 |
36.8016 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 3 2 H 1 3 6 N 4 S 8 . 4 C l H . M g . 4 P d / c 1 - 1 2 5 ( 2 , 3 ) 9 7 - 2 5 - 4 1 - 1 0 5 ( 4 2 - 2 6 - 9 7 ) 1 3 7 - 7 7 - 8 5 - 6 5 - 8 6 ( 7 8 - 1 3 8 - 1 0 6 - 4 3 - 2 7 - 9 8 ( 2 8 - 4 4 - 1 0 6 ) 1 2 6 ( 4 , 5 ) 6 ) 7 0 - 9 3 ( 6 9 - 8 5 ) 1 2 1 - 1 1 3 - 5 7 - 5 9 - 1 1 5 ( 1 3 3 - 1 1 3 ) 1 2 2 ( 9 4 - 7 1 - 8 7 ( 7 9 - 1 3 9 - 1 0 7 - 4 5 - 2 9 - 9 9 ( 3 0 - 4 6 - 1 0 7 ) 1 2 7 ( 7 , 8 ) 9 ) 6 6 - 8 8 ( 7 2 - 9 4 ) 8 0 - 1 4 0 - 1 0 8 - 4 7 - 3 1 - 1 0 0 ( 3 2 - 4 8 - 1 0 8 ) 1 2 8 ( 1 0 , 1 1 ) 1 2 ) 1 1 7 - 6 1 - 6 3 - 1 1 9 ( 1 3 5 - 1 1 7 ) 1 2 4 ( 9 6 - 7 5 - 9 1 ( 8 3 - 1 4 3 - 1 1 1 - 5 3 - 3 7 - 1 0 3 ( 3 8 - 5 4 - 1 1 1 ) 1 3 1 ( 1 9 , 2 0 ) 2 1 ) 6 8 - 9 2 ( 7 6 - 9 6 ) 8 4 - 1 4 4 - 1 1 2 - 5 5 - 3 9 - 1 0 4 ( 4 0 - 5 6 - 1 1 2 ) 1 3 2 ( 2 2 , 2 3 ) 2 4 ) 1 2 0 - 6 4 - 6 2 - 1 1 8 ( 1 3 6 - 1 2 0 ) 1 2 3 ( 1 1 6 - 6 0 - 5 8 - 1 1 4 ( 1 2 1 ) 1 3 4 - 1 1 6 ) 9 5 - 7 3 - 8 9 ( 8 1 - 1 4 1 - 1 0 9 - 4 9 - 3 3 - 1 0 1 ( 3 4 - 5 0 - 1 0 9 ) 1 2 9 ( 1 3 , 1 4 ) 1 5 ) 6 7 - 9 0 ( 7 4 - 9 5 ) 8 2 - 1 4 2 - 1 1 0 - 5 1 - 3 5 - 1 0 2 ( 3 6 - 5 2 - 1 1 0 ) 1 3 0 ( 1 6 , 1 7 ) 1 8 ; ; ; ; ; ; ; ; ; / h 2 5 - 6 4 , 6 9 - 7 6 H , 7 7 - 8 4 H 2 , 1 - 2 4 H 3 ; 4 * 1 H ; ; ; ; ; / q - 6 ; ; ; ; ; 5 * + 2 / p - 4 / b 1 2 1 - 1 1 3 - , 1 2 1 - 1 1 4 - , 1 2 2 - 1 1 5 - , 1 2 2 - 1 1 7 - , 1 2 3 - 1 1 6 - , 1 2 3 - 1 1 8 - , 1 2 4 - 1 1 9 - , 1 2 4 - 1 2 0 - ; ; ; ; ; ; ; ; ; |
| InChIKey |
R D F P N Z S R T V D W I G - G K B O Z G T E S A - J
|
| 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
|
