| Collection |
D4 : TTD |
| Chemical Name |
HS 378 ( From PubChem : H S 3 7 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 |
| 456.576 g/mol |
2 |
4 |
4.7288 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 9 H 3 2 N 2 O 3 / c 1 - 3 - 3 3 - 2 9 - 1 5 - 2 0 - 1 9 - 6 - 4 - 5 - 7 - 2 1 ( 1 9 ) 3 0 - 2 6 ( 2 0 ) 2 7 ( 2 ) 2 8 ( 2 9 ) 1 2 - 1 3 - 3 1 ( 1 6 - 1 7 - 8 - 9 - 1 7 ) 2 3 ( 2 9 ) 1 4 - 1 8 - 1 0 - 1 1 - 2 2 ( 3 2 ) 2 5 ( 3 4 - 2 7 ) 2 4 ( 1 8 ) 2 8 / h 4 - 7 , 1 0 - 1 1 , 1 7 , 2 3 , 3 0 , 3 2 H , 3 , 8 - 9 , 1 2 - 1 6 H 2 , 1 - 2 H 3 / t 2 3 - , 2 7 + , 2 8 + , 2 9 - / m 1 / s 1 |
| InChIKey |
O M U S J J B I Q W M C A N - F Q Y Q U S J J S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Antagonist | OPRD1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
