| Collection |
D4 : TTD |
| Chemical Name |
[D-Ncy(SO,methyl)4]acyline ( From PubChem : C H E M B L 3 8 9 9 4 5 ) |
| 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 |
| 1565.28 g/mol |
13 |
29 |
9.3069 |
False(0/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 8 0 H 1 0 2 C l N 1 5 O 1 4 S / c 1 - 4 6 ( 2 ) 3 8 - 6 3 ( 7 1 ( 1 0 1 ) 8 9 - 6 2 ( 1 9 - 1 2 - 1 3 - 3 6 - 8 4 - 4 7 ( 3 ) 4 ) 8 0 ( 1 0 9 ) 9 6 - 3 7 - 1 5 - 2 0 - 6 9 ( 9 6 ) 7 7 ( 1 0 7 ) 8 5 - 4 8 ( 5 ) 7 0 ( 8 2 ) 1 0 0 ) 9 0 - 7 3 ( 1 0 3 ) 6 6 ( 4 1 - 5 3 - 2 4 - 3 1 - 6 0 ( 3 2 - 2 5 - 5 3 ) 8 6 - 4 9 ( 6 ) 9 7 ) 9 2 - 7 5 ( 1 0 5 ) 6 7 ( 4 2 - 5 4 - 2 6 - 3 3 - 6 1 ( 3 4 - 2 7 - 5 4 ) 8 7 - 5 0 ( 7 ) 9 8 ) 9 4 - 7 8 ( 1 0 8 ) 7 9 ( 1 1 1 ( 9 ) 1 1 0 ) 9 5 - 7 6 ( 1 0 6 ) 6 8 ( 4 4 - 5 6 - 1 6 - 1 4 - 3 5 - 8 3 - 4 5 - 5 6 ) 9 3 - 7 4 ( 1 0 4 ) 6 5 ( 4 0 - 5 2 - 2 2 - 2 9 - 5 9 ( 8 1 ) 3 0 - 2 3 - 5 2 ) 9 1 - 7 2 ( 1 0 2 ) 6 4 ( 8 8 - 5 1 ( 8 ) 9 9 ) 4 3 - 5 5 - 2 1 - 2 8 - 5 7 - 1 7 - 1 0 - 1 1 - 1 8 - 5 8 ( 5 7 ) 3 9 - 5 5 / h 1 0 - 1 1 , 1 4 , 1 6 - 1 8 , 2 1 - 3 5 , 3 9 , 4 5 - 4 8 , 6 2 - 6 9 , 7 9 , 8 4 H , 1 2 - 1 3 , 1 5 , 1 9 - 2 0 , 3 6 - 3 8 , 4 0 - 4 4 H 2 , 1 - 9 H 3 , ( H 2 , 8 2 , 1 0 0 ) ( H , 8 5 , 1 0 7 ) ( H , 8 6 , 9 7 ) ( H , 8 7 , 9 8 ) ( H , 8 8 , 9 9 ) ( H , 8 9 , 1 0 1 ) ( H , 9 0 , 1 0 3 ) ( H , 9 1 , 1 0 2 ) ( H , 9 2 , 1 0 5 ) ( H , 9 3 , 1 0 4 ) ( H , 9 4 , 1 0 8 ) ( H , 9 5 , 1 0 6 ) / t 4 8 - , 6 2 + , 6 3 + , 6 4 - , 6 5 - , 6 6 - , 6 7 + , 6 8 - , 6 9 + , 7 9 - , 1 1 1 ? / m 1 / s 1 |
| InChIKey |
V C Y X Y V F Y P V P V G F - Q U D A Q T M V S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | GNRHR | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
