| Collection |
D4 : TTD |
| Chemical Name |
VARIECOLIN ( From PubChem : V A R I E C O L I N ) |
| 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 |
| 368.552 g/mol |
0 |
2 |
5.7717 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 5 H 3 6 O 2 / c 1 - 1 5 ( 2 ) 1 8 - 8 - 9 - 2 4 ( 4 ) 1 0 - 1 1 - 2 5 ( 5 ) 1 3 - 1 9 - 1 6 ( 3 ) 1 2 - 2 1 ( 2 7 ) 2 2 ( 1 9 ) 1 7 ( 1 4 - 2 6 ) 6 - 7 - 2 0 ( 2 5 ) 2 3 ( 1 8 ) 2 4 / h 6 , 1 4 , 1 6 , 1 8 - 2 0 , 2 2 - 2 3 H , 1 , 7 - 1 3 H 2 , 2 - 5 H 3 / b 1 7 - 6 - / t 1 6 - , 1 8 + , 1 9 - , 2 0 - , 2 2 - , 2 3 - , 2 4 - , 2 5 + / m 0 / s 1 |
| InChIKey |
X A Y Q A S O M E V L R K N - N O J N F T M Q S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | CCR5 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
