| Collection |
D4 : TTD |
| Chemical Name |
NK3201 ( From PubChem : N K 3 2 0 1 ) |
| 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 |
| 567.592 g/mol |
2 |
11 |
3.6983 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 1 H 2 9 N 5 O 6 / c 3 7 - 2 1 - 3 4 - 2 5 - 1 9 - 3 3 - 3 0 ( 2 3 - 1 2 - 5 - 2 - 6 - 1 3 - 2 3 ) 3 6 ( 3 1 ( 2 5 ) 4 1 ) 2 0 - 2 7 ( 3 9 ) 3 5 - 2 4 ( 1 8 - 2 2 - 1 0 - 3 - 1 - 4 - 1 1 - 2 2 ) 2 9 ( 4 0 ) 2 6 ( 3 8 ) 1 4 - 9 - 1 7 - 4 2 - 2 8 - 1 5 - 7 - 8 - 1 6 - 3 2 - 2 8 / h 1 - 8 , 1 0 - 1 3 , 1 5 - 1 6 , 1 9 , 2 1 , 2 4 H , 9 , 1 4 , 1 7 - 1 8 , 2 0 H 2 , ( H , 3 4 , 3 7 ) ( H , 3 5 , 3 9 ) |
| InChIKey |
Q O A N B A X B O L U A F A - 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 | CMA1 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
