| Collection |
D4 : TTD |
| Chemical Name |
PRONTOCIL ( From PubChem : N E O P R O N T O S I L ) |
| 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 |
| 544.535 g/mol |
5 |
14 |
4.5209 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 8 H 1 6 N 4 O 1 0 S 3 / c 1 - 9 ( 2 3 ) 2 0 - 1 4 - 8 - 1 3 - 1 0 ( 6 - 1 5 ( 1 4 ) 3 4 ( 2 7 , 2 8 ) 2 9 ) 7 - 1 6 ( 3 5 ( 3 0 , 3 1 ) 3 2 ) 1 7 ( 1 8 ( 1 3 ) 2 4 ) 2 2 - 2 1 - 1 1 - 2 - 4 - 1 2 ( 5 - 3 - 1 1 ) 3 3 ( 1 9 , 2 5 ) 2 6 / h 2 - 8 , 2 1 H , 1 H 3 , ( H , 2 0 , 2 3 ) ( H 2 , 1 9 , 2 5 , 2 6 ) ( H , 2 7 , 2 8 , 2 9 ) ( H , 3 0 , 3 1 , 3 2 ) / b 2 2 - 1 7 + |
| InChIKey |
R F B I Z W A L E V A H D X - O Q K W Z O N E S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | CA2 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
