Gene Set: D4 : TTD - 8-Benzyloxycaffeine
| Collection |
D4 : TTD |
| Chemical Name |
8-Benzyloxycaffeine ( From PubChem : 8 - B E N Z Y L O X Y C A F F E I N E ) |
| 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 |
| 300.313 g/mol |
0 |
7 |
0.5497 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 5 H 1 6 N 4 O 3 / c 1 - 1 7 - 1 1 - 1 2 ( 1 8 ( 2 ) 1 5 ( 2 1 ) 1 9 ( 3 ) 1 3 ( 1 1 ) 2 0 ) 1 6 - 1 4 ( 1 7 ) 2 2 - 9 - 1 0 - 7 - 5 - 4 - 6 - 8 - 1 0 / h 4 - 8 H , 9 H 2 , 1 - 3 H 3 |
| InChIKey |
L S J W X G M O P M J C H P - 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 | Inhibitor | MAOB | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
Contact us
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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