Gene Set: D4 : TTD - Primary alcohol metabolite of celecoxib
| Collection |
D4 : TTD |
| Chemical Name |
Primary alcohol metabolite of celecoxib ( From PubChem : C H E M B L 7 4 5 ) |
| 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 |
| 397.372 g/mol |
2 |
6 |
4.4789 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 7 H 1 4 F 3 N 3 O 3 S / c 1 8 - 1 7 ( 1 9 , 2 0 ) 1 6 - 9 - 1 5 ( 1 2 - 3 - 1 - 1 1 ( 1 0 - 2 4 ) 2 - 4 - 1 2 ) 2 3 ( 2 2 - 1 6 ) 1 3 - 5 - 7 - 1 4 ( 8 - 6 - 1 3 ) 2 7 ( 2 1 , 2 5 ) 2 6 / h 1 - 9 , 2 4 H , 1 0 H 2 , ( H 2 , 2 1 , 2 5 , 2 6 ) |
| InChIKey |
I C R S Y P P L G A D Z K A - 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 | PTGS1 | | | 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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