| Collection |
D4 : TTD |
| Chemical Name |
KSP-BCS-1-alpha-CHF2-1624F2-2 ( From PubChem : C H E M B L 2 2 0 1 4 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 |
| 512.663 g/mol |
2 |
2 |
8.1706 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 0 H 4 4 F 4 O 2 / c 1 - 6 - 2 9 ( 3 6 , 7 - 2 ) 3 0 ( 3 3 , 3 4 ) 1 6 - 1 4 - 1 9 ( 3 ) 2 5 - 1 2 - 1 3 - 2 6 - 2 1 ( 9 - 8 - 1 5 - 2 8 ( 2 5 , 2 6 ) 5 ) 1 0 - 1 1 - 2 2 - 1 7 - 2 3 ( 3 5 ) 1 8 - 2 4 ( 2 0 ( 2 2 ) 4 ) 2 7 ( 3 1 ) 3 2 / h 1 0 - 1 2 , 1 9 , 2 3 - 2 4 , 2 6 - 2 7 , 3 5 - 3 6 H , 4 , 6 - 9 , 1 3 - 1 8 H 2 , 1 - 3 , 5 H 3 / b 2 1 - 1 0 + , 2 2 - 1 1 - / t 1 9 - , 2 3 - , 2 4 + , 2 6 + , 2 8 - / m 1 / s 1 |
| InChIKey |
C U K D G T J R Z F Q G C K - H B X J J C J F S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | VDR | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
