| Collection |
D4 : TTD |
| Chemical Name |
DADLE ( From PubChem : D A D L E ) |
| 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 |
| 569.649 g/mol |
7 |
12 |
2.4898 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 9 H 3 9 N 5 O 7 / c 1 - 1 7 ( 2 ) 1 3 - 2 4 ( 2 9 ( 4 0 ) 4 1 ) 3 4 - 2 8 ( 3 9 ) 2 3 ( 1 5 - 1 9 - 7 - 5 - 4 - 6 - 8 - 1 9 ) 3 3 - 2 5 ( 3 6 ) 1 6 - 3 1 - 2 6 ( 3 7 ) 1 8 ( 3 ) 3 2 - 2 7 ( 3 8 ) 2 2 ( 3 0 ) 1 4 - 2 0 - 9 - 1 1 - 2 1 ( 3 5 ) 1 2 - 1 0 - 2 0 / h 4 - 1 2 , 1 7 - 1 8 , 2 2 - 2 4 , 3 5 H , 1 3 - 1 6 , 3 0 H 2 , 1 - 3 H 3 , ( H , 3 1 , 3 7 ) ( H , 3 2 , 3 8 ) ( H , 3 3 , 3 6 ) ( H , 3 4 , 3 9 ) ( H , 4 0 , 4 1 ) / t 1 8 - , 2 2 + , 2 3 + , 2 4 - / m 1 / s 1 |
| InChIKey |
Z H U J M S M Q I P I P T F - I B U R T V S X S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Agonist | OPRD1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
