| Collection |
D4 : TTD |
| Chemical Name |
4-(3-Adamantan-1-yl-ureido)-benzoic acid ( From PubChem : C H E M B L 4 7 8 3 2 1 ) |
| 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 |
| 314.379 g/mol |
3 |
5 |
3.939 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 8 H 2 2 N 2 O 3 / c 2 1 - 1 6 ( 2 2 ) 1 4 - 1 - 3 - 1 5 ( 4 - 2 - 1 4 ) 1 9 - 1 7 ( 2 3 ) 2 0 - 1 8 - 8 - 1 1 - 5 - 1 2 ( 9 - 1 8 ) 7 - 1 3 ( 6 - 1 1 ) 1 0 - 1 8 / h 1 - 4 , 1 1 - 1 3 H , 5 - 1 0 H 2 , ( H , 2 1 , 2 2 ) ( H 2 , 1 9 , 2 0 , 2 3 ) / t 1 1 - , 1 2 + , 1 3 - , 1 8 - |
| InChIKey |
K B C D T F Q Y S Z R N R K - M C X H Q A M O 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
|
