| Collection |
D4 : TTD |
| Chemical Name |
SEMIPLENAMIDE B ( From PubChem : S E M I P L E N A M I D E B ) |
| 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 |
| 407.63 g/mol |
1 |
4 |
7.0404 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 5 H 4 5 N O 3 / c 1 - 4 - 5 - 6 - 7 - 8 - 9 - 1 0 - 1 1 - 1 2 - 1 3 - 1 4 - 1 5 - 1 6 - 1 7 - 1 8 - 1 9 - 2 0 - 2 3 ( 2 ) 2 5 ( 2 8 ) 2 6 - 2 1 - 2 2 - 2 9 - 2 4 ( 3 ) 2 7 / h 1 6 - 1 7 , 2 0 H , 4 - 1 5 , 1 8 - 1 9 , 2 1 - 2 2 H 2 , 1 - 3 H 3 , ( H , 2 6 , 2 8 ) / b 1 7 - 1 6 + , 2 3 - 2 0 + |
| InChIKey |
Q X K J T H B W Y Q H G E Y - U E A I F Q Q Q S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | CNR1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
