| Collection |
D4 : TTD |
| Chemical Name |
AD 198 ( From PubChem : A D 1 9 8 ) |
| 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 |
| 717.758 g/mol |
5 |
13 |
3.9644 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 9 H 4 3 N O 1 2 / c 1 - 4 - 5 - 1 4 - 2 8 ( 4 2 ) 5 0 - 1 9 - 2 7 ( 4 1 ) 3 9 ( 4 8 ) 1 6 - 2 3 - 3 1 ( 3 8 ( 4 7 ) 3 3 - 3 2 ( 3 6 ( 2 3 ) 4 5 ) 3 5 ( 4 4 ) 2 2 - 1 2 - 9 - 1 3 - 2 5 ( 4 9 - 3 ) 3 0 ( 2 2 ) 3 7 ( 3 3 ) 4 6 ) 2 6 ( 1 7 - 3 9 ) 5 2 - 2 9 - 1 5 - 2 4 ( 3 4 ( 4 3 ) 2 0 ( 2 ) 5 1 - 2 9 ) 4 0 - 1 8 - 2 1 - 1 0 - 7 - 6 - 8 - 1 1 - 2 1 / h 6 - 1 3 , 2 0 , 2 4 , 2 6 , 2 9 , 3 4 , 4 0 , 4 3 , 4 5 , 4 7 - 4 8 H , 4 - 5 , 1 4 - 1 9 H 2 , 1 - 3 H 3 / t 2 0 - , 2 4 - , 2 6 - , 2 9 - , 3 4 + , 3 9 - / m 0 / s 1 |
| InChIKey |
I U K S G X M O H X E U J Y - Y W V R L Z Q X S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Activator | PRKCD | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
