| Collection |
D4 : TTD |
| Chemical Name |
Cibacron Blue ( From PubChem : C I B A C R O N B L U E 3 G A ) |
| 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 |
| 774.157 g/mol |
7 |
15 |
7.8961 |
False(0/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 9 H 2 0 C l N 7 O 1 1 S 3 / c 3 0 - 2 7 - 3 5 - 2 8 ( 3 3 - 1 6 - 7 - 3 - 4 - 8 - 1 9 ( 1 6 ) 4 9 ( 4 0 , 4 1 ) 4 2 ) 3 7 - 2 9 ( 3 6 - 2 7 ) 3 4 - 1 7 - 1 0 - 9 - 1 3 ( 1 1 - 2 0 ( 1 7 ) 5 0 ( 4 3 , 4 4 ) 4 5 ) 3 2 - 1 8 - 1 2 - 2 1 ( 5 1 ( 4 6 , 4 7 ) 4 8 ) 2 4 ( 3 1 ) 2 3 - 2 2 ( 1 8 ) 2 5 ( 3 8 ) 1 4 - 5 - 1 - 2 - 6 - 1 5 ( 1 4 ) 2 6 ( 2 3 ) 3 9 / h 1 - 1 2 , 3 2 H , 3 1 H 2 , ( H , 4 0 , 4 1 , 4 2 ) ( H , 4 3 , 4 4 , 4 5 ) ( H , 4 6 , 4 7 , 4 8 ) ( H 2 , 3 3 , 3 4 , 3 5 , 3 6 , 3 7 ) |
| InChIKey |
Y K C W Q P Z F A F Z L B I - 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 | NQO1 | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
