| Collection |
D4 : TTD |
| Chemical Name |
L-736281 ( From PubChem : C H E M B L 2 7 0 0 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 |
| 460.413 g/mol |
1 |
4 |
5.57 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 2 H 2 2 F 6 N 2 O 2 / c 2 3 - 2 1 ( 2 4 , 2 5 ) 1 6 - 9 - 1 4 ( 1 0 - 1 7 ( 1 1 - 1 6 ) 2 2 ( 2 6 , 2 7 ) 2 8 ) 1 3 - 3 2 - 1 8 - 7 - 4 - 8 - 3 0 ( 1 2 - 1 9 ( 2 9 ) 3 1 ) 2 0 ( 1 8 ) 1 5 - 5 - 2 - 1 - 3 - 6 - 1 5 / h 1 - 3 , 5 - 6 , 9 - 1 1 , 1 8 , 2 0 H , 4 , 7 - 8 , 1 2 - 1 3 H 2 , ( H 2 , 2 9 , 3 1 ) / t 1 8 - , 2 0 - / m 0 / s 1 |
| InChIKey |
S U Z S W S S X V H S R L T - I C S R J N T N S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | TACR1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
