| Collection |
D4 : TTD |
| Chemical Name |
JMV 1801 ( From PubChem : C H E M B L 4 1 1 0 1 6 ) |
| 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 |
| 1011.22 g/mol |
11 |
19 |
4.734 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 5 2 H 7 4 N 1 2 O 9 / c 1 - 5 - 6 - 1 9 - 4 4 ( 6 5 ) 4 1 ( 2 3 - 3 1 ( 2 ) 3 ) 6 2 - 5 1 ( 7 2 ) 4 3 ( 2 6 - 3 5 - 2 8 - 5 5 - 3 0 - 5 7 - 3 5 ) 5 9 - 4 6 ( 6 7 ) 2 9 - 6 4 - 2 2 - 1 3 - 1 2 - 1 8 - 4 0 ( 5 2 ( 6 4 ) 7 3 ) 6 1 - 4 7 ( 6 8 ) 3 2 ( 4 ) 5 8 - 5 0 ( 7 1 ) 4 2 ( 2 5 - 3 4 - 2 7 - 5 6 - 3 8 - 1 7 - 1 1 - 1 0 - 1 6 - 3 6 ( 3 4 ) 3 8 ) 6 3 - 4 9 ( 7 0 ) 3 9 ( 2 0 - 2 1 - 4 5 ( 5 4 ) 6 6 ) 6 0 - 4 8 ( 6 9 ) 3 7 ( 5 3 ) 2 4 - 3 3 - 1 4 - 8 - 7 - 9 - 1 5 - 3 3 / h 7 - 1 1 , 1 4 - 1 7 , 2 7 - 2 8 , 3 0 - 3 2 , 3 7 , 3 9 - 4 4 , 5 6 , 6 5 H , 5 - 6 , 1 2 - 1 3 , 1 8 - 2 6 , 2 9 , 5 3 H 2 , 1 - 4 H 3 , ( H 2 , 5 4 , 6 6 ) ( H , 5 5 , 5 7 ) ( H , 5 8 , 7 1 ) ( H , 5 9 , 6 7 ) ( H , 6 0 , 6 9 ) ( H , 6 1 , 6 8 ) ( H , 6 2 , 7 2 ) ( H , 6 3 , 7 0 ) / t 3 2 ? , 3 7 - , 3 9 ? , 4 0 ? , 4 1 - , 4 2 ? , 4 3 ? , 4 4 ? / m 1 / s 1 |
| InChIKey |
F J Z S P P B J Q I V S S X - S C V Q E C H T 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
|
