Gene Set: D4 : TTD - Almitrine
| Collection |
D4 : TTD |
| Chemical Name |
Almitrine ( From PubChem : A L M I T R I N E ) |
| FDA |
NPC |
WHO |
Indian |
Australia |
China |
Traditional
Herbal |
Clinical
Trail |
| Not | Not | Not | Not | Not | Approved | Not | Not |
|
Molecular
Weight |
Hydrogen Bond
Donor Count |
Hydrogen Bond
Acceptor Count |
cLogP |
Lipinski Rule |
| 477.552 g/mol |
2 |
7 |
4.4061 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 6 H 2 9 F 2 N 7 / c 1 - 3 - 1 3 - 2 9 - 2 4 - 3 1 - 2 5 ( 3 0 - 1 4 - 4 - 2 ) 3 3 - 2 6 ( 3 2 - 2 4 ) 3 5 - 1 7 - 1 5 - 3 4 ( 1 6 - 1 8 - 3 5 ) 2 3 ( 1 9 - 5 - 9 - 2 1 ( 2 7 ) 1 0 - 6 - 1 9 ) 2 0 - 7 - 1 1 - 2 2 ( 2 8 ) 1 2 - 8 - 2 0 / h 3 - 1 2 , 2 3 H , 1 - 2 , 1 3 - 1 8 H 2 , ( H 2 , 2 9 , 3 0 , 3 1 , 3 2 , 3 3 ) |
| InChIKey |
O B D O V F R M E Y H S Q B - U H F F F A O Y S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Drug(s) | ATP1A1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
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Tan Lab , Mail Stop 8117
12801 East 17th Avenue
Division of Medical Oncology , Department of Medicine
University of Colorado School of Medicine
Aurora, CO 80045, USA
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