| Collection |
D4 : TTD |
| Chemical Name |
[D-Gln3,D-Ncy(SO2,isopropyl)7]acyline ( From PubChem : C H E M B L 3 7 3 7 2 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 |
| 1563.22 g/mol |
15 |
32 |
7.241 |
False(0/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 7 6 H 1 0 0 C l N 1 5 O 1 7 S / c 1 - 4 2 ( 2 ) 8 0 - 3 4 - 1 2 - 1 1 - 1 6 - 5 8 ( 7 6 ( 1 0 7 ) 9 2 - 3 5 - 1 3 - 1 7 - 6 4 ( 9 2 ) 7 3 ( 1 0 5 ) 8 1 - 4 4 ( 5 ) 6 6 ( 7 9 ) 9 8 ) 8 6 - 7 4 ( 1 0 6 ) 7 5 ( 1 1 0 ( 1 0 8 , 1 0 9 ) 4 3 ( 3 ) 4 ) 9 1 - 7 1 ( 1 0 3 ) 6 2 ( 3 9 - 5 0 - 2 3 - 3 0 - 5 6 ( 3 1 - 2 4 - 5 0 ) 8 3 - 4 6 ( 7 ) 9 5 ) 8 8 - 7 0 ( 1 0 2 ) 6 1 ( 3 8 - 4 9 - 2 1 - 2 8 - 5 5 ( 2 9 - 2 2 - 4 9 ) 8 2 - 4 5 ( 6 ) 9 4 ) 8 9 - 7 2 ( 1 0 4 ) 6 3 ( 4 1 - 9 3 ) 9 0 - 6 7 ( 9 9 ) 5 7 ( 3 2 - 3 3 - 6 5 ( 7 8 ) 9 7 ) 8 5 - 6 9 ( 1 0 1 ) 6 0 ( 3 7 - 4 8 - 1 9 - 2 6 - 5 4 ( 7 7 ) 2 7 - 2 0 - 4 8 ) 8 7 - 6 8 ( 1 0 0 ) 5 9 ( 8 4 - 4 7 ( 8 ) 9 6 ) 4 0 - 5 1 - 1 8 - 2 5 - 5 2 - 1 4 - 9 - 1 0 - 1 5 - 5 3 ( 5 2 ) 3 6 - 5 1 / h 9 - 1 0 , 1 4 - 1 5 , 1 8 - 3 1 , 3 6 , 4 2 - 4 4 , 5 7 - 6 4 , 7 5 , 8 0 , 9 3 H , 1 1 - 1 3 , 1 6 - 1 7 , 3 2 - 3 5 , 3 7 - 4 1 H 2 , 1 - 8 H 3 , ( H 2 , 7 8 , 9 7 ) ( H 2 , 7 9 , 9 8 ) ( H , 8 1 , 1 0 5 ) ( H , 8 2 , 9 4 ) ( H , 8 3 , 9 5 ) ( H , 8 4 , 9 6 ) ( H , 8 5 , 1 0 1 ) ( H , 8 6 , 1 0 6 ) ( H , 8 7 , 1 0 0 ) ( H , 8 8 , 1 0 2 ) ( H , 8 9 , 1 0 4 ) ( H , 9 0 , 9 9 ) ( H , 9 1 , 1 0 3 ) / t 4 4 - , 5 7 - , 5 8 + , 5 9 - , 6 0 - , 6 1 + , 6 2 - , 6 3 + , 6 4 + , 7 5 - / m 1 / s 1 |
| InChIKey |
F V P K W K B S M Z R Q E W - Y S Z A J M O R 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
|
