Gene Set: D4 : TTD - TAK165
| Collection |
D4 : TTD |
| Chemical Name |
TAK165 ( From PubChem : M U B R I T I N I B ) |
| 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 |
| 468.471 g/mol |
0 |
6 |
6.0572 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 5 H 2 3 F 3 N 4 O 2 / c 2 6 - 2 5 ( 2 7 , 2 8 ) 2 1 - 9 - 4 - 2 0 ( 5 - 1 0 - 2 1 ) 8 - 1 3 - 2 4 - 3 0 - 2 2 ( 1 8 - 3 4 - 2 4 ) 1 7 - 3 3 - 2 3 - 1 1 - 6 - 1 9 ( 7 - 1 2 - 2 3 ) 3 - 1 - 2 - 1 5 - 3 2 - 1 6 - 1 4 - 2 9 - 3 1 - 3 2 / h 4 - 1 4 , 1 6 , 1 8 H , 1 - 3 , 1 5 , 1 7 H 2 / b 1 3 - 8 + |
| InChIKey |
Z T F B I U X I Q Y R U N T - M D W Z M J Q E S A - N
|
| Links |
|
Gene
(2 /
6)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Multitarget | EGFR | | | Successful target | | TTD | Inhibitor | EGFR | | | Successful target | | TTD | Drug(s) | EGFR | | | Successful target | | TTD | Multitarget | ERBB2 | | | Successful target | | TTD | Inhibitor | ERBB2 | | | Successful target | | TTD | Drug(s) | ERBB2 | | | Successful 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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