| Collection |
D4 : TTD |
| Chemical Name |
MK-869 ( From PubChem : A P R E P I T A N T ) |
| 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 |
| 534.427 g/mol |
2 |
5 |
4.89 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 3 H 2 1 F 7 N 4 O 3 / c 1 - 1 2 ( 1 4 - 8 - 1 5 ( 2 2 ( 2 5 , 2 6 ) 2 7 ) 1 0 - 1 6 ( 9 - 1 4 ) 2 3 ( 2 8 , 2 9 ) 3 0 ) 3 7 - 2 0 - 1 9 ( 1 3 - 2 - 4 - 1 7 ( 2 4 ) 5 - 3 - 1 3 ) 3 4 ( 6 - 7 - 3 6 - 2 0 ) 1 1 - 1 8 - 3 1 - 2 1 ( 3 5 ) 3 3 - 3 2 - 1 8 / h 2 - 5 , 8 - 1 0 , 1 2 , 1 9 - 2 0 H , 6 - 7 , 1 1 H 2 , 1 H 3 , ( H 2 , 3 1 , 3 2 , 3 3 , 3 5 ) / t 1 2 - , 1 9 + , 2 0 - / m 1 / s 1 |
| InChIKey |
A T A L O F N D E O C M K K - O I T M N O R J S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Antagonist | TACR1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
