| Collection |
D4 : TTD |
| Chemical Name |
PD-161182 ( From PubChem : C H E M B L 4 5 3 4 0 ) |
| 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 |
| 546.649 g/mol |
4 |
8 |
6.9975 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 9 H 4 0 F 2 N 4 O 4 / c 1 - 2 0 ( 2 ) 2 5 ( 2 1 - 1 3 - 8 - 7 - 9 - 1 4 - 2 1 ) 3 9 - 2 8 ( 3 8 ) 3 5 - 2 9 ( 3 , 1 9 - 2 2 - 1 5 - 1 2 - 1 6 - 2 3 ( 3 0 ) 2 4 ( 2 2 ) 3 1 ) 2 6 ( 3 6 ) 3 3 - 1 7 - 1 0 - 5 - 4 - 6 - 1 1 - 1 8 - 3 4 - 2 7 ( 3 2 ) 3 7 / h 7 - 9 , 1 2 - 1 6 , 2 0 , 2 5 H , 4 - 6 , 1 0 - 1 1 , 1 7 - 1 9 H 2 , 1 - 3 H 3 , ( H , 3 3 , 3 6 ) ( H , 3 5 , 3 8 ) ( H 3 , 3 2 , 3 4 , 3 7 ) / t 2 5 - , 2 9 + / m 0 / s 1 |
| InChIKey |
I W E Y V T F O H K C W J N - A B Y G Y W H V S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | TACR3 | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
