| Collection |
D4 : TTD |
| Chemical Name |
1-adamantan-1-yl-3-(4-pentyloxycylclohexyl)urea ( From PubChem : C H E M B L 4 3 9 5 7 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 |
| 362.549 g/mol |
2 |
4 |
5.5542 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 2 H 3 8 N 2 O 2 / c 1 - 2 - 3 - 4 - 9 - 2 6 - 2 0 - 7 - 5 - 1 9 ( 6 - 8 - 2 0 ) 2 3 - 2 1 ( 2 5 ) 2 4 - 2 2 - 1 3 - 1 6 - 1 0 - 1 7 ( 1 4 - 2 2 ) 1 2 - 1 8 ( 1 1 - 1 6 ) 1 5 - 2 2 / h 1 6 - 2 0 H , 2 - 1 5 H 2 , 1 H 3 , ( H 2 , 2 3 , 2 4 , 2 5 ) / t 1 6 - , 1 7 + , 1 8 - , 1 9 - , 2 0 - , 2 2 - |
| InChIKey |
V I W C J P K Z D Q Y Q R J - P H F H V O K W 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
|
