| Collection |
D4 : TTD |
| Chemical Name |
HMR1098 ( From PubChem : C L A M I K A L A N T S O D I U M ) |
| 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 |
| 493.96 g/mol |
2 |
8 |
4.759 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 9 H 2 2 C l N 3 O 5 S 2 . N a / c 1 - 2 1 - 1 9 ( 2 9 ) 2 3 - 3 0 ( 2 5 , 2 6 ) 1 7 - 1 0 - 1 2 ( 4 - 6 - 1 6 ( 1 7 ) 2 8 - 3 ) 8 - 9 - 2 2 - 1 8 ( 2 4 ) 1 4 - 1 1 - 1 3 ( 2 0 ) 5 - 7 - 1 5 ( 1 4 ) 2 7 - 2 ; / h 4 - 7 , 1 0 - 1 1 H , 8 - 9 H 2 , 1 - 3 H 3 , ( H 3 , 2 1 , 2 2 , 2 3 , 2 4 , 2 9 ) ; / q ; + 1 / p - 1 |
| InChIKey |
S U E V H D K F E X A K A F - U H F F F A O Y S A - M
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Blocker | KCNJ10 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
