| Collection |
D4 : TTD |
| Chemical Name |
CP-80794 ( From PubChem : U N I I - E 5 H 9 I P 6 3 7 W ) |
| 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 |
| 620.8 g/mol |
4 |
12 |
3.3656 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 1 H 4 8 N 4 O 7 S / c 1 - 2 1 ( 2 ) 4 2 - 3 0 ( 3 9 ) 2 7 ( 3 6 ) 2 4 ( 1 8 - 2 2 - 1 0 - 6 - 4 - 7 - 1 1 - 2 2 ) 3 2 - 2 9 ( 3 8 ) 2 6 ( 2 0 - 4 3 - 3 ) 3 3 - 2 8 ( 3 7 ) 2 5 ( 1 9 - 2 3 - 1 2 - 8 - 5 - 9 - 1 3 - 2 3 ) 3 4 - 3 1 ( 4 0 ) 3 5 - 1 4 - 1 6 - 4 1 - 1 7 - 1 5 - 3 5 / h 5 , 8 - 9 , 1 2 - 1 3 , 2 1 - 2 2 , 2 4 - 2 7 , 3 6 H , 4 , 6 - 7 , 1 0 - 1 1 , 1 4 - 2 0 H 2 , 1 - 3 H 3 , ( H , 3 2 , 3 8 ) ( H , 3 3 , 3 7 ) ( H , 3 4 , 4 0 ) / t 2 4 - , 2 5 - , 2 6 - , 2 7 + / m 0 / s 1 |
| InChIKey |
U Z Q B K C W Y Z B H B O W - Y I P N Q B B M S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | REN | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
