| Collection |
D4 : TTD |
| Chemical Name |
INOGATRAN ( From PubChem : I N O G A T R A 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 |
| 438.564 g/mol |
5 |
10 |
2.2807 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 1 H 3 8 N 6 O 4 / c 2 2 - 2 1 ( 2 3 ) 2 5 - 1 1 - 6 - 1 0 - 2 4 - 1 9 ( 3 0 ) 1 7 - 9 - 4 - 5 - 1 2 - 2 7 ( 1 7 ) 2 0 ( 3 1 ) 1 6 ( 2 6 - 1 4 - 1 8 ( 2 8 ) 2 9 ) 1 3 - 1 5 - 7 - 2 - 1 - 3 - 8 - 1 5 / h 1 5 - 1 7 , 2 6 H , 1 - 1 4 H 2 , ( H , 2 4 , 3 0 ) ( H , 2 8 , 2 9 ) ( H 4 , 2 2 , 2 3 , 2 5 ) / t 1 6 - , 1 7 + / m 1 / s 1 |
| InChIKey |
C D P R O X Z B M H O B T Q - S J O R K V T E S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | F2 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
