| Collection |
D4 : TTD |
| Chemical Name |
RR(17)PZ ( From PubChem : C H E M B L 2 2 0 0 9 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 |
| 1122.36 g/mol |
3 |
18 |
8.2856 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 5 7 H 7 1 N 9 O 1 1 S 2 / c 1 - 5 - 6 4 ( 6 - 2 ) 4 1 - 1 9 - 2 2 - 4 5 - 5 0 ( 3 7 - 4 1 ) 7 7 - 5 1 - 3 8 - 4 2 ( 6 5 ( 7 - 3 ) 8 - 4 ) 2 0 - 2 3 - 4 6 ( 5 1 ) 5 5 ( 4 5 ) 4 7 - 2 4 - 2 1 - 4 3 ( 3 9 - 5 2 ( 4 7 ) 7 9 ( 7 2 , 7 3 ) 7 4 ) 7 8 ( 7 0 , 7 1 ) 6 0 - 2 6 - 1 3 - 9 - 1 0 - 1 8 - 5 3 ( 6 7 ) 5 8 - 2 7 - 3 3 - 7 5 - 3 5 - 3 6 - 7 6 - 3 4 - 3 2 - 6 2 - 2 8 - 3 0 - 6 3 ( 3 1 - 2 9 - 6 2 ) 4 0 - 5 4 ( 6 8 ) 6 6 - 4 9 - 1 7 - 1 2 - 1 1 - 1 5 - 4 4 ( 4 9 ) 5 7 ( 6 9 ) 6 1 - 4 8 - 1 6 - 1 4 - 2 5 - 5 9 - 5 6 ( 4 8 ) 6 6 / h 1 1 - 1 2 , 1 4 - 1 7 , 1 9 - 2 5 , 3 7 - 3 9 , 6 0 H , 5 - 1 0 , 1 3 , 1 8 , 2 6 - 3 6 , 4 0 H 2 , 1 - 4 H 3 , ( H 2 - , 5 8 , 6 1 , 6 7 , 6 9 , 7 2 , 7 3 , 7 4 ) |
| InChIKey |
Z I L Z A Z L H M F Y Y B B - U H F F F A O Y S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | CHRM1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
