| Collection |
D4 : TTD |
| Chemical Name |
ICI 154129 ( From PubChem : I C I 1 5 4 1 2 9 ) |
| 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 |
| 638.817 g/mol |
5 |
11 |
4.3424 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 4 H 4 6 N 4 O 6 S / c 1 - 5 - 1 7 - 3 8 ( 1 8 - 6 - 2 ) 2 9 ( 2 1 - 2 6 - 1 2 - 1 4 - 2 7 ( 3 9 ) 1 5 - 1 3 - 2 6 ) 3 2 ( 4 1 ) 3 6 - 2 3 - 3 1 ( 4 0 ) 3 5 - 1 6 - 1 9 - 4 5 - 3 0 ( 2 2 - 2 5 - 1 0 - 8 - 7 - 9 - 1 1 - 2 5 ) 3 3 ( 4 2 ) 3 7 - 2 8 ( 3 4 ( 4 3 ) 4 4 ) 2 0 - 2 4 ( 3 ) 4 / h 5 - 1 5 , 2 4 , 2 8 - 3 0 , 3 9 H , 1 - 2 , 1 6 - 2 3 H 2 , 3 - 4 H 3 , ( H , 3 5 , 4 0 ) ( H , 3 6 , 4 1 ) ( H , 3 7 , 4 2 ) ( H , 4 3 , 4 4 ) / t 2 8 - , 2 9 - , 3 0 - / m 0 / s 1 |
| InChIKey |
C Z R Z Y R K T Y L L L R L - D T X P U J K B 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
|
