| Collection |
D4 : TTD |
| Chemical Name |
cis-1-adamantan-1-yl-3-(4-methoxycyclohexyl)urea ( From PubChem : C H E M B L 3 9 5 9 8 7 ) |
| 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 |
| 388.587 g/mol |
2 |
4 |
5.9443 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 4 H 4 0 N 2 O 2 / c 2 7 - 2 3 ( 2 6 - 2 4 - 1 3 - 1 8 - 1 0 - 1 9 ( 1 4 - 2 4 ) 1 2 - 2 0 ( 1 1 - 1 8 ) 1 5 - 2 4 ) 2 5 - 2 1 - 6 - 8 - 2 2 ( 9 - 7 - 2 1 ) 2 8 - 1 6 - 1 7 - 4 - 2 - 1 - 3 - 5 - 1 7 / h 1 7 - 2 2 H , 1 - 1 6 H 2 , ( H 2 , 2 5 , 2 6 , 2 7 ) / t 1 8 - , 1 9 + , 2 0 - , 2 1 - , 2 2 - , 2 4 - |
| InChIKey |
I W F D Y F I M Y Q S E Q D - H N R B Z V E N 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
|
