| Collection |
D4 : TTD |
| Chemical Name |
TI3 ( From PubChem : C H E M B L 4 1 9 4 9 9 ) |
| 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 |
| 412.502 g/mol |
3 |
7 |
2.7894 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 2 H 2 4 N 2 O 4 S / c 2 5 - 2 0 ( 1 4 - 2 3 - 2 1 ( 2 6 ) 1 9 ( 2 9 ) 1 3 - 1 5 - 7 - 3 - 1 - 4 - 8 - 1 5 ) 2 4 - 1 7 ( 1 1 - 1 2 - 1 8 ( 2 4 ) 2 2 ( 2 7 ) 2 8 ) 1 6 - 9 - 5 - 2 - 6 - 1 0 - 1 6 / h 1 - 1 0 , 1 7 - 1 9 , 2 9 H , 1 1 - 1 4 H 2 , ( H , 2 3 , 2 6 ) ( H , 2 7 , 2 8 ) / t 1 7 - , 1 8 + , 1 9 + / m 1 / s 1 |
| InChIKey |
Z W D Q T N W L X A L T O V - Q Y Z O E R E B 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
|
