| Collection |
D4 : TTD |
| Chemical Name |
MCL-153;MCL-154 ( From PubChem : C H E M B L 3 4 8 0 2 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 |
| 677.013 g/mol |
0 |
4 |
9.5174 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 6 H 6 4 N 2 O 2 / c 1 - 3 - 1 9 - 4 5 - 2 1 - 2 3 - 4 7 ( 3 1 - 3 3 - 9 - 7 - 1 0 - 3 3 ) 4 3 ( 3 9 ( 4 5 ) 1 3 - 1 ) 2 7 - 3 5 - 1 5 - 1 7 - 3 7 ( 2 9 - 4 1 ( 3 5 ) 4 5 ) 4 9 - 2 5 - 5 - 6 - 2 6 - 5 0 - 3 8 - 1 8 - 1 6 - 3 6 - 2 8 - 4 4 - 4 0 - 1 4 - 2 - 4 - 2 0 - 4 6 ( 4 0 , 4 2 ( 3 6 ) 3 0 - 3 8 ) 2 2 - 2 4 - 4 8 ( 4 4 ) 3 2 - 3 4 - 1 1 - 8 - 1 2 - 3 4 / h 1 5 - 1 8 , 2 9 - 3 0 , 3 3 - 3 4 , 3 9 - 4 0 , 4 3 - 4 4 H , 1 - 1 4 , 1 9 - 2 8 , 3 1 - 3 2 H 2 / t 3 9 - , 4 0 - , 4 3 + , 4 4 + , 4 5 + , 4 6 + / m 0 / s 1 |
| InChIKey |
F E T C H T U K Z Y X A P U - D O D Y B P F Y S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | OPRD1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
