| Collection |
D4 : TTD |
| Chemical Name |
CE-1037 ( From PubChem : C H E M B L 5 6 6 0 5 ) |
| 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 |
| 730.841 g/mol |
2 |
12 |
7.3836 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 6 H 4 2 O 1 2 S 2 / c 1 - 3 3 ( 2 , 2 9 ( 3 7 ) 3 8 ) 2 1 - 4 9 ( 4 3 , 4 4 ) 2 7 - 1 7 - 1 3 - 2 5 ( 1 4 - 1 8 - 2 7 ) 4 7 - 3 1 ( 4 1 ) 3 5 ( 5 , 6 ) 2 3 - 9 - 1 1 - 2 4 ( 1 2 - 1 0 - 2 3 ) 3 6 ( 7 , 8 ) 3 2 ( 4 2 ) 4 8 - 2 6 - 1 5 - 1 9 - 2 8 ( 2 0 - 1 6 - 2 6 ) 5 0 ( 4 5 , 4 6 ) 2 2 - 3 4 ( 3 , 4 ) 3 0 ( 3 9 ) 4 0 / h 9 - 2 0 H , 2 1 - 2 2 H 2 , 1 - 8 H 3 , ( H , 3 7 , 3 8 ) ( H , 3 9 , 4 0 ) |
| InChIKey |
H V X F L N J F Y R W D Q U - 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 | ELANE | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
