| Collection |
D4 : TTD |
| Chemical Name |
FR117016 ( From PubChem : C H E M B L 9 3 6 4 7 ) |
| 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 |
| 369.467 g/mol |
4 |
8 |
4.7385 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 6 H 1 5 N 7 S 2 / c 1 7 - 1 4 ( 1 8 ) 2 3 - 1 6 - 2 2 - 1 2 ( 8 - 2 4 - 1 6 ) 1 3 - 6 - 5 - 9 ( 2 5 - 1 3 ) 7 - 1 9 - 1 5 - 2 0 - 1 0 - 3 - 1 - 2 - 4 - 1 1 ( 1 0 ) 2 1 - 1 5 / h 1 - 6 , 8 H , 7 H 2 , ( H 2 , 1 9 , 2 0 , 2 1 ) ( H 4 , 1 7 , 1 8 , 2 2 , 2 3 ) |
| InChIKey |
C K J G K H X C U D W F D C - 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 | ADA | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
