| Collection |
D4 : TTD |
| Chemical Name |
Ro-65-7219 ( From PubChem : C H E M B L 1 2 7 6 2 7 6 ) |
| 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 |
| 631.755 g/mol |
3 |
9 |
5.1821 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 7 H 4 5 N O 8 / c 1 - 4 1 - 3 3 - 1 1 - 6 - 4 - 9 - 2 9 ( 3 3 ) 2 4 - 4 3 - 1 6 - 7 - 1 7 - 4 4 - 3 1 - 1 4 - 1 2 - 2 7 ( 1 3 - 1 5 - 3 1 ) 3 7 - 3 5 ( 2 0 - 3 8 - 2 1 - 3 6 ( 3 7 ) 4 6 - 2 5 - 3 0 ( 4 0 ) 2 2 - 3 9 ) 4 5 - 2 3 - 2 6 - 1 8 - 2 8 - 8 - 3 - 5 - 1 0 - 3 2 ( 2 8 ) 3 4 ( 1 9 - 2 6 ) 4 2 - 2 / h 3 - 6 , 8 - 1 5 , 1 8 - 1 9 , 3 0 , 3 5 - 4 0 H , 7 , 1 6 - 1 7 , 2 0 - 2 5 H 2 , 1 - 2 H 3 / t 3 0 - , 3 5 + , 3 6 - , 3 7 - / m 1 / s 1 |
| InChIKey |
Q Y B J M S X Q F Y U Z H D - Z L W K X D T I 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
|
