Gene Set: D4 : TTD - EM1396
| Collection |
D4 : TTD |
| Chemical Name |
EM1396 ( From PubChem : E M 1 3 9 6 ) |
| 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 |
| 451.598 g/mol |
0 |
5 |
5.54158 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 8 H 3 7 N O 4 / c 1 - 2 6 ( 2 ) 1 1 - 1 2 - 2 8 ( 3 3 - 2 5 ( 2 6 ) 3 0 ) 1 0 - 8 - 2 3 - 2 1 - 6 - 5 - 1 8 - 1 6 - 2 4 ( 3 2 - 1 4 - 1 3 - 3 1 - 4 ) 1 9 ( 1 7 - 2 9 ) 1 5 - 2 2 ( 1 8 ) 2 0 ( 2 1 ) 7 - 9 - 2 7 ( 2 3 , 2 8 ) 3 / h 1 5 - 1 6 , 2 0 - 2 1 , 2 3 H , 5 - 1 4 H 2 , 1 - 4 H 3 / t 2 0 - , 2 1 + , 2 3 - , 2 7 - , 2 8 + / m 0 / s 1 |
| InChIKey |
D B E R I E F I H O J V N L - N O P J H Z O Q S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | AKR1C3 | | | Research 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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