| Collection |
D4 : TTD |
| Chemical Name |
C2-MAD ( From PubChem : C 2 - 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 |
| 645.45 g/mol |
6 |
18 |
0.9061 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 3 H 2 9 N 5 O 1 3 P 2 / c 1 - 1 0 - 1 2 - 5 - 3 8 - 2 3 ( 3 2 ) 1 4 ( 1 2 ) 1 6 ( 2 9 ) 1 1 ( 1 9 ( 1 0 ) 3 7 - 2 ) 3 - 4 - 3 9 - 4 2 ( 3 3 , 3 4 ) 9 - 4 3 ( 3 5 , 3 6 ) 4 0 - 6 - 1 3 - 1 7 ( 3 0 ) 1 8 ( 3 1 ) 2 2 ( 4 1 - 1 3 ) 2 8 - 8 - 2 7 - 1 5 - 2 0 ( 2 4 ) 2 5 - 7 - 2 6 - 2 1 ( 1 5 ) 2 8 / h 7 - 8 , 1 3 , 1 7 - 1 8 , 2 2 , 2 9 - 3 1 H , 3 - 6 , 9 H 2 , 1 - 2 H 3 , ( H , 3 3 , 3 4 ) ( H , 3 5 , 3 6 ) ( H 2 , 2 4 , 2 5 , 2 6 ) / t 1 3 - , 1 7 - , 1 8 - , 2 2 - / m 1 / s 1 |
| InChIKey |
A M Y U Z L U B F K O U E X - J K W A K E A T 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
|
