| Collection |
D4 : TTD |
| Chemical Name |
MEN-14933 ( From PubChem : C H E M B L 1 8 1 0 0 4 ) |
| 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 |
| 520.595 g/mol |
3 |
8 |
4.982 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 9 H 3 3 F N 4 O 4 / c 3 0 - 2 3 - 7 - 1 1 - 2 5 ( 1 2 - 8 - 2 3 ) 3 8 - 2 6 - 1 3 - 9 - 2 4 ( 1 0 - 1 4 - 2 6 ) 3 2 - 2 9 ( 3 6 ) 3 3 - 2 7 ( 2 1 - 2 2 - 5 - 2 - 1 - 3 - 6 - 2 2 ) 2 8 ( 3 5 ) 3 1 - 1 5 - 4 - 1 6 - 3 4 - 1 7 - 1 9 - 3 7 - 2 0 - 1 8 - 3 4 / h 1 - 3 , 5 - 1 4 , 2 7 H , 4 , 1 5 - 2 1 H 2 , ( H , 3 1 , 3 5 ) ( H 2 , 3 2 , 3 3 , 3 6 ) / t 2 7 - / m 0 / s 1 |
| InChIKey |
S I L R X F H W S P Z K L R - M H Z L T W Q E S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | TACR2 | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
