| Collection |
D4 : TTD |
| Chemical Name |
A-740003 ( From PubChem : A - 7 4 0 0 0 3 ) |
| 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 |
| 474.555 g/mol |
3 |
9 |
4.67648 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 6 H 3 0 N 6 O 3 / c 1 - 2 6 ( 2 , 3 ) 2 4 ( 3 1 - 2 3 ( 3 3 ) 1 5 - 1 7 - 1 1 - 1 2 - 2 1 ( 3 4 - 4 ) 2 2 ( 1 4 - 1 7 ) 3 5 - 5 ) 3 2 - 2 5 ( 2 9 - 1 6 - 2 7 ) 3 0 - 2 0 - 1 0 - 6 - 9 - 1 9 - 1 8 ( 2 0 ) 8 - 7 - 1 3 - 2 8 - 1 9 / h 6 - 1 4 , 2 4 H , 1 5 H 2 , 1 - 5 H 3 , ( H , 3 1 , 3 3 ) ( H 2 , 2 9 , 3 0 , 3 2 ) / t 2 4 - / m 0 / s 1 |
| InChIKey |
P U H S R M S F D A S M A E - D E O S S O P V S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | P2RX7 | | | Discontinued target |
|
| Download gene sets |
gmt, text, Detailed text
|
