| Collection |
D4 : TTD |
| Chemical Name |
A-131701 ( From PubChem : A - 1 3 1 7 0 1 ) |
| 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 |
| 448.537 g/mol |
1 |
7 |
2.9078 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 4 H 2 4 N 4 O 3 S / c 1 - 3 1 - 1 8 - 5 - 2 - 4 - 1 5 - 1 6 ( 1 8 ) 8 - 7 - 1 4 - 1 2 - 2 7 ( 1 3 - 1 7 ( 1 4 ) 1 5 ) 1 0 - 1 1 - 2 8 - 2 3 ( 2 9 ) 2 2 - 2 1 ( 2 6 - 2 4 ( 2 8 ) 3 0 ) 2 0 - 1 9 ( 3 2 - 2 2 ) 6 - 3 - 9 - 2 5 - 2 0 / h 2 - 6 , 9 , 1 4 , 1 7 H , 7 - 8 , 1 0 - 1 3 H 2 , 1 H 3 , ( H , 2 6 , 3 0 ) / t 1 4 - , 1 7 + / m 0 / s 1 |
| InChIKey |
O L P Q N R L J Y O G S G V - W M L D X E A 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
|
