| Collection |
D4 : TTD |
| Chemical Name |
CGS-314447 ( From PubChem : C H E M B L 4 1 5 9 6 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 |
| 499.501 g/mol |
4 |
7 |
5.0307 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 7 H 2 6 N 5 O 3 P / c 3 3 - 3 6 ( 3 4 , 3 5 ) 2 6 ( 1 8 - 2 0 - 1 2 - 1 5 - 2 2 - 8 - 4 - 5 - 9 - 2 4 ( 2 2 ) 1 6 - 2 0 ) 2 8 - 2 5 ( 2 7 - 2 9 - 3 1 - 3 2 - 3 0 - 2 7 ) 1 7 - 1 9 - 1 0 - 1 3 - 2 3 ( 1 4 - 1 1 - 1 9 ) 2 1 - 6 - 2 - 1 - 3 - 7 - 2 1 / h 1 - 1 6 , 2 5 - 2 6 , 2 8 H , 1 7 - 1 8 H 2 , ( H 2 , 3 3 , 3 4 , 3 5 ) ( H , 2 9 , 3 0 , 3 1 , 3 2 ) / t 2 5 - , 2 6 - / m 0 / s 1 |
| InChIKey |
P I B U I E X H V F J H N Q - U I O O F Z C W S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | MME | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
