| Collection |
D4 : TTD |
| Chemical Name |
2-(2-carboxy-5-mercaptopentyl)benzoic acid ( From PubChem : 2 - ( 2 - C A R B O X Y - 5 - M E R C A P T O - P E N T Y L ) - B E N Z O I C A C I D ) |
| 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 |
| 268.329 g/mol |
3 |
5 |
2.3381 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 3 H 1 6 O 4 S / c 1 4 - 1 2 ( 1 5 ) 1 0 ( 5 - 3 - 7 - 1 8 ) 8 - 9 - 4 - 1 - 2 - 6 - 1 1 ( 9 ) 1 3 ( 1 6 ) 1 7 / h 1 - 2 , 4 , 6 , 1 0 , 1 8 H , 3 , 5 , 7 - 8 H 2 , ( H , 1 4 , 1 5 ) ( H , 1 6 , 1 7 ) / t 1 0 - / m 0 / s 1 |
| InChIKey |
A J R Y U I B E X X W D C Q - J T Q L Q I E I S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | FOLH1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
