Gene Set: D4 : TTD - 2-(3-cyanobenzyl)-5-mercaptopentanoic acid
| Collection |
D4 : TTD |
| Chemical Name |
2-(3-cyanobenzyl)-5-mercaptopentanoic acid ( From PubChem : A G N - P C - 0 0 E P 4 H ) |
| 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 |
| 249.329 g/mol |
2 |
4 |
2.51158 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 3 H 1 5 N O 2 S / c 1 4 - 9 - 1 1 - 4 - 1 - 3 - 1 0 ( 7 - 1 1 ) 8 - 1 2 ( 1 3 ( 1 5 ) 1 6 ) 5 - 2 - 6 - 1 7 / h 1 , 3 - 4 , 7 , 1 2 , 1 7 H , 2 , 5 - 6 , 8 H 2 , ( H , 1 5 , 1 6 ) / t 1 2 - / m 0 / s 1 |
| InChIKey |
P C F B G U N M C C W A C H - L B P R G K R Z S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | FOLH1 | | | 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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