| Collection |
D4 : TTD |
| Chemical Name |
SC-52892 ( From PubChem : C H E M B L 9 6 4 2 ) |
| 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 |
| 431.533 g/mol |
1 |
7 |
4.0829 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 4 H 2 9 N 7 O / c 1 - 3 - 5 - 9 - 1 9 - 1 7 - 3 0 ( 1 4 - 6 - 4 - 2 ) 2 4 ( 3 2 ) 3 1 ( 1 9 ) 1 6 - 1 8 - 1 2 - 1 3 - 2 2 ( 2 5 - 1 5 - 1 8 ) 2 0 - 1 0 - 7 - 8 - 1 1 - 2 1 ( 2 0 ) 2 3 - 2 6 - 2 8 - 2 9 - 2 7 - 2 3 / h 7 - 8 , 1 0 - 1 3 , 1 5 , 1 7 H , 3 - 6 , 9 , 1 4 , 1 6 H 2 , 1 - 2 H 3 , ( H , 2 6 , 2 7 , 2 8 , 2 9 ) |
| InChIKey |
M I K R U Z G Z Q M V M A G - 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 | AGTR2 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
