| Collection |
D4 : TTD |
| Chemical Name |
(S,S)-oxandrine hydrochloride ( From PubChem : C H E M B L 4 4 5 0 1 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 |
| 659.168 g/mol |
3 |
9 |
6.7577 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 7 H 3 8 N 2 O 7 . C l H / c 1 - 3 8 - 1 2 - 1 1 - 2 2 - 1 8 - 3 2 ( 4 5 - 5 ) 3 6 ( 4 2 ) 3 7 - 3 3 ( 2 2 ) 2 7 ( 3 8 ) 1 5 - 2 0 - 6 - 9 - 2 9 ( 4 3 - 3 ) 2 6 ( 1 4 - 2 0 ) 2 5 - 1 6 - 2 3 ( 7 - 8 - 2 8 ( 2 5 ) 4 0 ) 3 5 ( 4 1 ) 3 4 - 2 4 - 1 9 - 3 1 ( 4 6 - 3 7 ) 3 0 ( 4 4 - 4 ) 1 7 - 2 1 ( 2 4 ) 1 0 - 1 3 - 3 9 ( 3 4 ) 2 ; / h 6 - 9 , 1 4 , 1 6 - 1 9 , 2 7 , 3 4 , 4 0 , 4 2 H , 1 0 - 1 3 , 1 5 H 2 , 1 - 5 H 3 ; 1 H |
| InChIKey |
H E I S N S A K V P L J D D - 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 | DRD1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
