| Collection |
D4 : TTD |
| Chemical Name |
C4-MAD ( From PubChem : C 4 - M A D ) |
| 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 |
| 685.513 g/mol |
6 |
18 |
1.8524 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 6 H 3 3 N 5 O 1 3 P 2 / c 1 - 1 2 ( 4 - 5 - 1 4 - 1 9 ( 3 2 ) 1 7 - 1 5 ( 7 - 4 1 - 2 6 ( 1 7 ) 3 5 ) 1 3 ( 2 ) 2 2 ( 1 4 ) 4 0 - 3 ) 6 - 4 2 - 4 5 ( 3 6 , 3 7 ) 1 1 - 4 6 ( 3 8 , 3 9 ) 4 3 - 8 - 1 6 - 2 0 ( 3 3 ) 2 1 ( 3 4 ) 2 5 ( 4 4 - 1 6 ) 3 1 - 1 0 - 3 0 - 1 8 - 2 3 ( 2 7 ) 2 8 - 9 - 2 9 - 2 4 ( 1 8 ) 3 1 / h 4 , 9 - 1 0 , 1 6 , 2 0 - 2 1 , 2 5 , 3 2 - 3 4 H , 5 - 8 , 1 1 H 2 , 1 - 3 H 3 , ( H , 3 6 , 3 7 ) ( H , 3 8 , 3 9 ) ( H 2 , 2 7 , 2 8 , 2 9 ) / b 1 2 - 4 + / t 1 6 - , 2 0 - , 2 1 - , 2 5 - / m 1 / s 1 |
| InChIKey |
M C Y W J N D I V Y M D S F - A W O Y C Z E K S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | IMPDH2 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
