| Collection |
D4 : TTD |
| Chemical Name |
2-(2-carboxy-7-mercaptoheptyl)benzoic acid ( From PubChem : A G N - P C - 0 7 6 1 L U ) |
| 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 |
| 296.382 g/mol |
3 |
5 |
3.1183 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 5 H 2 0 O 4 S / c 1 6 - 1 4 ( 1 7 ) 1 2 ( 7 - 2 - 1 - 5 - 9 - 2 0 ) 1 0 - 1 1 - 6 - 3 - 4 - 8 - 1 3 ( 1 1 ) 1 5 ( 1 8 ) 1 9 / h 3 - 4 , 6 , 8 , 1 2 , 2 0 H , 1 - 2 , 5 , 7 , 9 - 1 0 H 2 , ( H , 1 6 , 1 7 ) ( H , 1 8 , 1 9 ) / t 1 2 - / m 0 / s 1 |
| InChIKey |
M L F B N U W B Z S W D E Z - L B P R G K R Z 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
|
