| Collection |
D4 : TTD |
| Chemical Name |
KJM429 ( From PubChem : K J M 4 2 9 ) |
| 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 |
| 1041.02 g/mol |
10 |
18 |
6.393 |
False(0/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 2 H 2 9 F O 5 . C 1 9 H 2 5 B N 4 O 4 . C 1 4 H 2 0 N 2 O 3 / c 1 - 1 2 - 8 - 1 6 - 1 5 - 5 - 4 - 1 3 - 9 - 1 4 ( 2 5 ) 6 - 7 - 1 9 ( 1 3 , 2 ) 2 1 ( 1 5 , 2 3 ) 1 7 ( 2 6 ) 1 0 - 2 0 ( 1 6 , 3 ) 2 2 ( 1 2 , 2 8 ) 1 8 ( 2 7 ) 1 1 - 2 4 ; 1 - 1 3 ( 2 ) 1 0 - 1 7 ( 2 0 ( 2 7 ) 2 8 ) 2 4 - 1 8 ( 2 5 ) 1 5 ( 1 1 - 1 4 - 6 - 4 - 3 - 5 - 7 - 1 4 ) 2 3 - 1 9 ( 2 6 ) 1 6 - 1 2 - 2 1 - 8 - 9 - 2 2 - 1 6 ; 1 7 - 1 3 ( 1 5 - 1 2 - 8 - 4 - 3 - 5 - 9 - 1 2 ) 1 0 - 6 - 1 - 2 - 7 - 1 1 - 1 4 ( 1 8 ) 1 6 - 1 9 / h 6 - 7 , 9 , 1 2 , 1 5 - 1 7 , 2 4 , 2 6 , 2 8 H , 4 - 5 , 8 , 1 0 - 1 1 H 2 , 1 - 3 H 3 ; 3 - 9 , 1 2 - 1 3 , 1 5 , 1 7 , 2 7 - 2 8 H , 1 0 - 1 1 H 2 , 1 - 2 H 3 , ( H , 2 3 , 2 6 ) ( H , 2 4 , 2 5 ) ; 3 - 5 , 8 - 9 , 1 9 H , 1 - 2 , 6 - 7 , 1 0 - 1 1 H 2 , ( H , 1 5 , 1 7 ) ( H , 1 6 , 1 8 ) / t 1 2 - , 1 5 ? , 1 6 ? , 1 7 + , 1 9 + , 2 0 + , 2 1 + , 2 2 + ; 1 5 - , 1 7 - ; / m 1 0 . / s 1 |
| InChIKey |
H V A B O K Y G X P X K M Q - Q Z F F N J L S S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Antagonist | TRPV1 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
