| Collection |
D4 : TTD |
| Chemical Name |
EB-47 ( From PubChem : C H E M B L 1 1 7 3 1 2 0 ) |
| 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 |
| 537.528 g/mol |
5 |
15 |
-1.0872 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 4 H 2 7 N 9 O 6 / c 2 5 - 2 0 - 1 6 - 2 1 ( 2 8 - 1 0 - 2 7 - 2 0 ) 3 3 ( 1 1 - 2 9 - 1 6 ) 2 4 - 1 8 ( 3 6 ) 1 7 ( 3 5 ) 1 9 ( 3 9 - 2 4 ) 2 3 ( 3 8 ) 3 2 - 6 - 4 - 3 1 ( 5 - 7 - 3 2 ) 9 - 1 5 ( 3 4 ) 3 0 - 1 4 - 3 - 1 - 2 - 1 2 - 1 3 ( 1 4 ) 8 - 2 6 - 2 2 ( 1 2 ) 3 7 / h 1 - 3 , 1 0 - 1 1 , 1 7 - 1 9 , 2 4 , 3 5 - 3 6 H , 4 - 9 H 2 , ( H , 2 6 , 3 7 ) ( H , 3 0 , 3 4 ) ( H 2 , 2 5 , 2 7 , 2 8 ) / t 1 7 - , 1 8 + , 1 9 - , 2 4 + / m 0 / s 1 |
| InChIKey |
D D F L F K T X U W P N M V - U A K A A B G R 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
|
