Gene Set: D4 : TTD - (-)-(1S,1'R)-O,O-dimethylgrisbine hydrochloride
| Collection |
D4 : TTD |
| Chemical Name |
(-)-(1S,1'R)-O,O-dimethylgrisbine hydrochloride ( From PubChem : C H E M B L 5 0 7 9 7 0 ) |
| 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 |
| 675.253 g/mol |
1 |
8 |
7.7431 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 9 H 4 6 N 2 O 6 . C l H / c 1 - 4 0 - 1 6 - 1 4 - 2 7 - 2 1 - 3 5 ( 4 3 - 4 ) 3 7 ( 4 5 - 6 ) 2 3 - 3 0 ( 2 7 ) 3 2 ( 4 0 ) 1 8 - 2 5 - 8 - 1 1 - 2 9 ( 1 2 - 9 - 2 5 ) 4 7 - 3 9 - 2 0 - 2 6 ( 1 0 - 1 3 - 3 4 ( 3 9 ) 4 2 - 3 ) 1 9 - 3 3 - 3 1 - 2 4 - 3 8 ( 4 6 - 7 ) 3 6 ( 4 4 - 5 ) 2 2 - 2 8 ( 3 1 ) 1 5 - 1 7 - 4 1 ( 3 3 ) 2 ; / h 8 - 1 3 , 2 0 - 2 4 , 3 2 - 3 3 H , 1 4 - 1 9 H 2 , 1 - 7 H 3 ; 1 H / t 3 2 - , 3 3 + ; / m 1 . / s 1 |
| InChIKey |
O E B M B M K S A Q U F S L - V M X Y R S A X 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
|
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