| Collection |
D4 : TTD |
| Chemical Name |
Carboxylic Acid Metabolite (E-3174) ( From PubChem : E X P 3 1 7 4 ) |
| 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 |
| 436.894 g/mol |
2 |
7 |
4.4727 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 2 H 2 1 C l N 6 O 2 / c 1 - 2 - 3 - 8 - 1 8 - 2 4 - 2 0 ( 2 3 ) 1 9 ( 2 2 ( 3 0 ) 3 1 ) 2 9 ( 1 8 ) 1 3 - 1 4 - 9 - 1 1 - 1 5 ( 1 2 - 1 0 - 1 4 ) 1 6 - 6 - 4 - 5 - 7 - 1 7 ( 1 6 ) 2 1 - 2 5 - 2 7 - 2 8 - 2 6 - 2 1 / h 4 - 7 , 9 - 1 2 H , 2 - 3 , 8 , 1 3 H 2 , 1 H 3 , ( H , 3 0 , 3 1 ) ( H , 2 5 , 2 6 , 2 7 , 2 8 ) |
| InChIKey |
Z E U X A I Y Y D D C I R X - 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 | AGTR1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
