| Collection |
D4 : TTD |
| Chemical Name |
DADMe-ImmH ( From PubChem : N A P H T H Y R I D I N O M Y C I N ) |
| 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 |
| 433.455 g/mol |
2 |
10 |
-2.1406 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 1 H 2 7 N 3 O 7 / c 1 - 2 2 - 9 - 6 - 8 - 1 3 ( 2 2 ) 1 5 - 1 4 ( 2 3 - 4 - 5 - 3 1 - 2 1 ( 8 ) 2 3 ) 1 2 - 1 1 ( 1 0 ( 7 - 2 5 ) 2 4 ( 1 5 ) 2 0 ( 9 ) 2 8 ) 1 6 ( 2 6 ) 1 8 ( 2 9 - 2 ) 1 9 ( 3 0 - 3 ) 1 7 ( 1 2 ) 2 7 / h 8 - 1 0 , 1 3 - 1 5 , 2 0 - 2 1 , 2 5 , 2 8 H , 4 - 7 H 2 , 1 - 3 H 3 / t 8 ? , 9 ? , 1 0 - , 1 3 ? , 1 4 ? , 1 5 ? , 2 0 - , 2 1 ? / m 1 / s 1 |
| InChIKey |
V L K R T I Y D C R K N T E - Z N S C M W N V S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | PNP | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
