| Collection |
D4 : TTD |
| Chemical Name |
PcTx1 ( From PubChem : C I G U A T O X I N 1 ) |
| 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 |
| 1111.31 g/mol |
6 |
19 |
2.9664 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 6 0 H 8 6 O 1 9 / c 1 - 2 8 - 1 9 - 4 2 - 4 4 ( 2 2 - 4 8 - 5 4 ( 7 6 - 4 2 ) 3 0 ( 3 ) 5 2 ( 6 5 ) 5 8 - 5 5 ( 7 7 - 4 8 ) 2 9 ( 2 ) 3 1 ( 4 ) 6 0 ( 7 9 - 5 8 ) 2 5 - 3 3 ( 6 3 ) 2 7 - 6 7 - 6 0 ) 7 3 - 4 6 - 2 4 - 5 1 - 5 9 ( 5 , 7 8 - 4 7 ( 4 6 ) 2 0 - 2 8 ) 5 0 ( 6 4 ) 2 3 - 4 5 - 3 6 ( 7 4 - 5 1 ) 1 1 - 7 - 6 - 1 0 - 3 5 - 3 7 ( 7 1 - 4 5 ) 1 5 - 1 6 - 3 9 - 3 8 ( 6 9 - 3 5 ) 1 7 - 1 8 - 4 0 - 4 3 ( 7 0 - 3 9 ) 2 1 - 4 9 - 5 7 ( 7 5 - 4 0 ) 5 3 ( 6 6 ) 5 6 - 4 1 ( 7 2 - 4 9 ) 1 2 - 8 - 9 - 3 4 ( 6 8 - 5 6 ) 1 4 - 1 3 - 3 2 ( 6 2 ) 2 6 - 6 1 / h 6 - 9 , 1 3 - 1 8 , 2 8 - 5 8 , 6 1 - 6 6 H , 1 0 - 1 2 , 1 9 - 2 7 H 2 , 1 - 5 H 3 / b 7 - 6 - , 1 4 - 1 3 + / t 2 8 - , 2 9 + , 3 0 + , 3 1 + , 3 2 + , 3 3 + , 3 4 - , 3 5 ? , 3 6 ? , 3 7 ? , 3 8 ? , 3 9 ? , 4 0 ? , 4 1 ? , 4 2 ? , 4 3 ? , 4 4 ? , 4 5 ? , 4 6 ? , 4 7 ? , 4 8 ? , 4 9 ? , 5 0 - , 5 1 ? , 5 2 + , 5 3 - , 5 4 ? , 5 5 ? , 5 6 ? , 5 7 ? , 5 8 ? , 5 9 + , 6 0 - / m 1 / s 1 |
| InChIKey |
V Y V R I X W N T V O I R D - U O R S X D C N S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Blocker | ASIC1 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
