| Collection |
D4 : TTD |
| Chemical Name |
1-adamantan-1-yl-3-[4-(4-fluorophenoxy)butyl]urea ( From PubChem : C H E M B L 3 8 7 8 1 0 ) |
| 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 |
| 360.466 g/mol |
2 |
4 |
5.0345 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 1 H 2 9 F N 2 O 2 / c 2 2 - 1 8 - 3 - 5 - 1 9 ( 6 - 4 - 1 8 ) 2 6 - 8 - 2 - 1 - 7 - 2 3 - 2 0 ( 2 5 ) 2 4 - 2 1 - 1 2 - 1 5 - 9 - 1 6 ( 1 3 - 2 1 ) 1 1 - 1 7 ( 1 0 - 1 5 ) 1 4 - 2 1 / h 3 - 6 , 1 5 - 1 7 H , 1 - 2 , 7 - 1 4 H 2 , ( H 2 , 2 3 , 2 4 , 2 5 ) / t 1 5 - , 1 6 + , 1 7 - , 2 1 - |
| InChIKey |
P V C K S Z S Z T V Y J K W - Y F H K M K N M S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | EPHX2 | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
