| Collection |
D4 : TTD |
| Chemical Name |
LUF-6258 ( From PubChem : C H E M B L 1 0 9 0 6 8 7 ) |
| 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 |
| 810.789 g/mol |
5 |
13 |
7.1228 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 9 H 4 5 C l 2 N 7 O 6 S / c 4 0 - 2 7 - 1 3 - 8 - 2 3 ( 1 8 - 2 8 ( 2 7 ) 4 1 ) 3 3 ( 5 0 ) 3 1 - 2 6 - 1 4 - 1 6 - 4 7 ( 1 9 - 3 0 ( 2 6 ) 5 5 - 3 6 ( 3 1 ) 4 2 ) 1 5 - 6 - 4 - 2 - 1 - 3 - 5 - 7 - 1 7 - 5 3 - 2 5 - 1 1 - 9 - 2 4 ( 1 0 - 1 2 - 2 5 ) 4 6 - 3 7 - 3 2 - 3 8 ( 4 4 - 2 1 - 4 3 - 3 7 ) 4 8 ( 2 2 - 4 5 - 3 2 ) 3 9 - 3 5 ( 5 2 ) 3 4 ( 5 1 ) 2 9 ( 2 0 - 4 9 ) 5 4 - 3 9 / h 8 - 1 3 , 1 8 , 2 1 - 2 2 , 2 9 , 3 4 - 3 5 , 3 9 , 4 9 , 5 1 - 5 2 H , 1 - 7 , 1 4 - 1 7 , 1 9 - 2 0 , 4 2 H 2 , ( H , 4 3 , 4 4 , 4 6 ) / t 2 9 - , 3 4 - , 3 5 - , 3 9 - / m 1 / s 1 |
| InChIKey |
D E R H Y I L B H U K L G L - V M P B L T E I S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | ADORA1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
