| Collection |
D4 : TTD |
| Chemical Name |
carinatumins B (2) ( From PubChem : C A R I N A T U M I N S B ( 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 |
| 272.342 g/mol |
3 |
3 |
1.3917 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 6 H 2 0 N 2 O 2 / c 1 - 9 - 6 - 1 0 - 7 - 1 2 - 1 1 ( 2 - 3 - 1 4 ( 2 0 ) 1 8 - 1 2 ) 1 6 ( 8 - 9 ) 1 5 ( 1 0 ) 1 3 ( 1 9 ) 4 - 5 - 1 7 - 1 6 / h 2 - 3 , 6 , 1 0 , 1 3 , 1 5 , 1 7 , 1 9 H , 4 - 5 , 7 - 8 H 2 , 1 H 3 , ( H , 1 8 , 2 0 ) / t 1 0 - , 1 3 + , 1 5 - , 1 6 - / m 0 / s 1 |
| InChIKey |
R G J U W L M F R Y L A O J - U X V L E F J L S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | ACHE | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
