| Collection |
D4 : TTD |
| Chemical Name |
Ro-11-04253 ( From PubChem : C H E M B L 3 6 0 6 8 8 ) |
| 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 |
| 478.438 g/mol |
3 |
9 |
1.1697 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 0 H 2 6 F 4 N 4 O 5 / c 1 - 1 9 ( 3 2 ) 1 6 ( 2 9 ) 2 5 - 1 8 ( 3 1 ) 2 8 ( 1 7 ( 1 9 ) 3 0 ) 6 - 2 - 5 - 2 6 - 7 - 9 - 2 7 ( 1 0 - 8 - 2 6 ) 1 4 - 4 - 3 - 1 3 ( 2 1 ) 1 1 - 1 5 ( 1 4 ) 3 3 - 1 2 - 2 0 ( 2 2 , 2 3 ) 2 4 / h 3 - 4 , 1 1 , 1 6 , 2 9 , 3 2 H , 2 , 5 - 1 0 , 1 2 H 2 , 1 H 3 , ( H , 2 5 , 3 1 ) / t 1 6 - , 1 9 + / m 1 / s 1 |
| InChIKey |
C F E C X S N W R X Z H N R - A P W Z R J J A S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | ADRA1A | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
