| Collection |
D4 : TTD |
| Chemical Name |
CGS-22652 ( From PubChem : C G S 2 2 6 5 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 |
| 452.995 g/mol |
2 |
6 |
6.1592 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 2 H 2 9 C l N 2 O 4 S / c 2 3 - 2 0 - 1 0 - 1 2 - 2 1 ( 1 3 - 1 1 - 2 0 ) 3 0 ( 2 8 , 2 9 ) 2 5 - 1 6 - 2 - 1 - 5 - 1 8 ( 9 - 1 4 - 2 2 ( 2 6 ) 2 7 ) 6 - 3 - 7 - 1 9 - 8 - 4 - 1 5 - 2 4 - 1 7 - 1 9 / h 4 , 8 , 1 0 - 1 3 , 1 5 , 1 7 - 1 8 , 2 5 H , 1 - 3 , 5 - 7 , 9 , 1 4 , 1 6 H 2 , ( H , 2 6 , 2 7 ) / t 1 8 - / m 0 / s 1 |
| InChIKey |
I S M H A Z M N D U A H L K - S F H V U R J K S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | TBXAS1 | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
