| Collection |
D4 : TTD |
| Chemical Name |
PD-167341 ( From PubChem : C H E M B L 3 3 4 4 3 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 |
| 578.742 g/mol |
3 |
9 |
5.9587 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 3 H 4 6 N 4 O 5 / c 1 - 2 3 ( 2 ) 2 1 - 2 7 ( 3 5 - 3 2 ( 4 1 ) 3 7 - 1 9 - 1 1 - 6 - 7 - 1 2 - 2 0 - 3 7 ) 2 9 ( 3 8 ) 3 4 - 2 8 ( 3 0 ( 3 9 ) 3 6 - 3 3 ( 3 , 4 ) 5 ) 2 2 - 2 4 - 1 5 - 1 7 - 2 6 ( 1 8 - 1 6 - 2 4 ) 4 2 - 3 1 ( 4 0 ) 2 5 - 1 3 - 9 - 8 - 1 0 - 1 4 - 2 5 / h 8 - 1 0 , 1 3 - 1 8 , 2 3 , 2 7 - 2 8 H , 6 - 7 , 1 1 - 1 2 , 1 9 - 2 2 H 2 , 1 - 5 H 3 , ( H , 3 4 , 3 8 ) ( H , 3 5 , 4 1 ) ( H , 3 6 , 3 9 ) / t 2 7 - , 2 8 - / m 0 / s 1 |
| InChIKey |
R A S C V E W V R J P M S U - N S O V K S M O S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | CACNA1B | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
