Gene Set: D4 : TTD - THEASINENSIN A
| Collection |
D4 : TTD |
| Chemical Name |
THEASINENSIN A ( From PubChem : T H E A S I N E N S I N A ) |
| 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 |
| 914.728 g/mol |
16 |
22 |
4.4468 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 4 H 3 4 O 2 2 / c 4 5 - 1 5 - 5 - 2 1 ( 4 7 ) 1 7 - 1 1 - 3 1 ( 6 5 - 4 3 ( 6 1 ) 1 3 - 1 - 2 3 ( 4 9 ) 3 5 ( 5 5 ) 2 4 ( 5 0 ) 2 - 1 3 ) 4 1 ( 6 3 - 2 9 ( 1 7 ) 7 - 1 5 ) 1 9 - 9 - 2 7 ( 5 3 ) 3 7 ( 5 7 ) 3 9 ( 5 9 ) 3 3 ( 1 9 ) 3 4 - 2 0 ( 1 0 - 2 8 ( 5 4 ) 3 8 ( 5 8 ) 4 0 ( 3 4 ) 6 0 ) 4 2 - 3 2 ( 1 2 - 1 8 - 2 2 ( 4 8 ) 6 - 1 6 ( 4 6 ) 8 - 3 0 ( 1 8 ) 6 4 - 4 2 ) 6 6 - 4 4 ( 6 2 ) 1 4 - 3 - 2 5 ( 5 1 ) 3 6 ( 5 6 ) 2 6 ( 5 2 ) 4 - 1 4 / h 1 - 1 0 , 3 1 - 3 2 , 4 1 - 4 2 , 4 5 - 6 0 H , 1 1 - 1 2 H 2 / t 3 1 - , 3 2 - , 4 1 ? , 4 2 ? / m 1 / s 1 |
| InChIKey |
Y U U L F X A Q U W E Y N P - O R T F V Z E P S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | SQLE | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
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Division of Medical Oncology , Department of Medicine
University of Colorado School of Medicine
Aurora, CO 80045, USA
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