| Collection |
D4 : TTD |
| Chemical Name |
1-adamantan-1-yl-3-(1-butyl-piperidin-4-yl)-urea ( From PubChem : C H E M B L 3 8 6 8 2 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 |
| 333.511 g/mol |
2 |
4 |
4.2386 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 0 H 3 5 N 3 O / c 1 - 2 - 3 - 6 - 2 3 - 7 - 4 - 1 8 ( 5 - 8 - 2 3 ) 2 1 - 1 9 ( 2 4 ) 2 2 - 2 0 - 1 2 - 1 5 - 9 - 1 6 ( 1 3 - 2 0 ) 1 1 - 1 7 ( 1 0 - 1 5 ) 1 4 - 2 0 / h 1 5 - 1 8 H , 2 - 1 4 H 2 , 1 H 3 , ( H 2 , 2 1 , 2 2 , 2 4 ) / t 1 5 - , 1 6 + , 1 7 - , 2 0 - |
| InChIKey |
F T N A V C V M G W L L J E - C H I N L Q B D 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
|
