| Collection |
D4 : TTD |
| Chemical Name |
RWJ-50353 ( From PubChem : C H E M B L 2 7 0 4 3 7 ) |
| 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 |
| 549.688 g/mol |
4 |
11 |
3.9594 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 8 H 3 5 N 7 O 3 S / c 1 - 3 1 - 2 1 ( 1 7 - 1 8 - 9 - 3 - 2 - 4 - 1 0 - 1 8 ) 2 7 ( 3 8 ) 3 5 - 1 6 - 8 - 1 3 - 2 2 ( 3 5 ) 2 5 ( 3 7 ) 3 3 - 2 0 ( 1 2 - 7 - 1 5 - 3 2 - 2 8 ( 2 9 ) 3 0 ) 2 4 ( 3 6 ) 2 6 - 3 4 - 1 9 - 1 1 - 5 - 6 - 1 4 - 2 3 ( 1 9 ) 3 9 - 2 6 / h 2 - 6 , 9 - 1 1 , 1 4 , 2 0 - 2 2 , 3 1 H , 7 - 8 , 1 2 - 1 3 , 1 5 - 1 7 H 2 , 1 H 3 , ( H , 3 3 , 3 7 ) ( H 4 , 2 9 , 3 0 , 3 2 ) / t 2 0 - , 2 1 + , 2 2 - / m 0 / s 1 |
| InChIKey |
Q R B I R S C L E V E O D D - B D T N D A S R 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
|
