| Collection |
D4 : TTD |
| Chemical Name |
JMV 1799 ( From PubChem : C H E M B L 4 1 5 1 1 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 |
| 984.107 g/mol |
10 |
20 |
3.424 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 9 H 6 5 N 1 1 O 1 1 / c 1 - 2 8 ( 2 ) 2 1 - 4 0 ( 4 9 ( 7 0 ) 7 1 - 4 ) 5 9 - 4 7 ( 6 8 ) 3 9 ( 2 3 - 3 2 - 2 5 - 5 1 - 2 7 - 5 3 - 3 2 ) 5 6 - 4 3 ( 6 4 ) 2 6 - 6 0 - 2 0 - 8 - 7 - 1 1 - 3 7 ( 4 8 ( 6 0 ) 6 9 ) 5 7 - 4 4 ( 6 5 ) 2 9 ( 3 ) 5 4 - 4 6 ( 6 7 ) 3 8 ( 2 2 - 3 1 - 2 4 - 5 2 - 3 5 - 1 0 - 6 - 5 - 9 - 3 4 ( 3 1 ) 3 5 ) 5 8 - 4 5 ( 6 6 ) 3 6 ( 1 7 - 1 8 - 4 1 ( 5 0 ) 6 2 ) 5 5 - 4 2 ( 6 3 ) 1 9 - 1 4 - 3 0 - 1 2 - 1 5 - 3 3 ( 6 1 ) 1 6 - 1 3 - 3 0 / h 5 - 6 , 9 - 1 0 , 1 2 - 1 3 , 1 5 - 1 6 , 2 4 - 2 5 , 2 7 - 2 9 , 3 6 - 4 0 , 5 2 , 6 1 H , 7 - 8 , 1 1 , 1 4 , 1 7 - 2 3 , 2 6 H 2 , 1 - 4 H 3 , ( H 2 , 5 0 , 6 2 ) ( H , 5 1 , 5 3 ) ( H , 5 4 , 6 7 ) ( H , 5 5 , 6 3 ) ( H , 5 6 , 6 4 ) ( H , 5 7 , 6 5 ) ( H , 5 8 , 6 6 ) ( H , 5 9 , 6 8 ) |
| InChIKey |
S V P H N B M M Y L A P K Y - U H F F F A O Y S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | GRPR | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
