Gene Set: D4 : TTD - 8-(3-Bromobenzyloxy)caffeine
| Collection |
D4 : TTD |
| Chemical Name |
8-(3-Bromobenzyloxy)caffeine ( From PubChem : 8 - ( 3 - B R O M O 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 |
| 379.209 g/mol |
0 |
7 |
1.3122 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 5 H 1 5 B r N 4 O 3 / c 1 - 1 8 - 1 1 - 1 2 ( 1 9 ( 2 ) 1 5 ( 2 2 ) 2 0 ( 3 ) 1 3 ( 1 1 ) 2 1 ) 1 7 - 1 4 ( 1 8 ) 2 3 - 8 - 9 - 5 - 4 - 6 - 1 0 ( 1 6 ) 7 - 9 / h 4 - 7 H , 8 H 2 , 1 - 3 H 3 |
| InChIKey |
U M X J Q I S L I G I Y P W - 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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