| Collection |
D4 : TTD |
| Chemical Name |
Bo(15)PZ ( From PubChem : C H E M B L 1 9 8 9 8 2 ) |
| 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 |
| 849.799 g/mol |
3 |
12 |
5.8059 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 4 H 5 0 B F 2 N 9 O 4 S / c 4 6 - 4 5 ( 4 7 ) 5 5 - 3 2 ( 1 5 - 1 6 - 3 3 ( 5 5 ) 3 0 - 3 4 - 1 7 - 1 9 - 3 8 ( 5 6 ( 3 4 ) 4 5 ) 3 9 - 1 3 - 9 - 2 9 - 6 1 - 3 9 ) 1 8 - 2 0 - 4 1 ( 5 8 ) 4 9 - 2 1 - 5 - 1 - 2 - 1 4 - 4 0 ( 5 7 ) 4 8 - 2 2 - 6 - 7 - 2 4 - 5 2 - 2 5 - 2 7 - 5 3 ( 2 8 - 2 6 - 5 2 ) 3 1 - 4 2 ( 5 9 ) 5 4 - 3 7 - 1 2 - 4 - 3 - 1 0 - 3 5 ( 3 7 ) 4 4 ( 6 0 ) 5 1 - 3 6 - 1 1 - 8 - 2 3 - 5 0 - 4 3 ( 3 6 ) 5 4 / h 3 - 4 , 8 - 1 3 , 1 5 - 1 7 , 1 9 , 2 3 , 2 9 - 3 0 H , 1 - 2 , 5 - 7 , 1 4 , 1 8 , 2 0 - 2 2 , 2 4 - 2 8 , 3 1 H 2 , ( H , 4 8 , 5 7 ) ( H , 4 9 , 5 8 ) ( H , 5 1 , 6 0 ) |
| InChIKey |
A Z M S B C B X X B L H Q P - 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
|
