| Collection |
D4 : TTD |
| Chemical Name |
3-(4-hexylthiosemicarbazono)methyl-benzoic acid ( From PubChem : C H E M B L 2 2 8 3 1 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 |
| 307.411 g/mol |
3 |
6 |
3.5449 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 5 H 2 1 N 3 O 2 S / c 1 - 2 - 3 - 4 - 5 - 9 - 1 6 - 1 5 ( 2 1 ) 1 8 - 1 7 - 1 1 - 1 2 - 7 - 6 - 8 - 1 3 ( 1 0 - 1 2 ) 1 4 ( 1 9 ) 2 0 / h 6 - 8 , 1 0 - 1 1 H , 2 - 5 , 9 H 2 , 1 H 3 , ( H , 1 9 , 2 0 ) ( H 2 , 1 6 , 1 8 , 2 1 ) / b 1 7 - 1 1 + |
| InChIKey |
W A I V P X A L Q I Y L J U - G Z T J U Z N O S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | STS | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
