| Collection |
D4 : TTD |
| Chemical Name |
Antiproliferative Agent A771726 ( From PubChem : 2 - C Y A N O - 3 - H Y D R O X Y - N - [ 4 - ( T R I F L U O R O M E T H Y L ) P H E N Y L ] B U T A N A M I D E ) |
| 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 |
| 272.223 g/mol |
2 |
4 |
2.23748 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 2 H 1 1 F 3 N 2 O 2 / c 1 - 7 ( 1 8 ) 1 0 ( 6 - 1 6 ) 1 1 ( 1 9 ) 1 7 - 9 - 4 - 2 - 8 ( 3 - 5 - 9 ) 1 2 ( 1 3 , 1 4 ) 1 5 / h 2 - 5 , 7 , 1 0 , 1 8 H , 1 H 3 , ( H , 1 7 , 1 9 ) / t 7 - , 1 0 + / m 1 / s 1 |
| InChIKey |
Y O D X E Q N R O K S L L Q - X C B N K Y Q S S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | DHODH | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
