| Collection |
D4 : TTD |
| Chemical Name |
GR-218231 ( From PubChem : C H E M B L 3 3 4 5 2 9 ) |
| 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 |
| 415.589 g/mol |
0 |
4 |
5.7292 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 4 H 3 3 N O 3 S / c 1 - 4 - 1 4 - 2 5 ( 1 5 - 5 - 2 ) 2 2 - 9 - 8 - 2 0 - 1 6 - 1 9 ( 6 - 7 - 2 1 ( 2 0 ) 1 7 - 2 2 ) 1 8 - 2 9 ( 2 6 , 2 7 ) 2 4 - 1 2 - 1 0 - 2 3 ( 2 8 - 3 ) 1 1 - 1 3 - 2 4 / h 6 - 7 , 1 0 - 1 3 , 1 6 , 2 2 H , 4 - 5 , 8 - 9 , 1 4 - 1 5 , 1 7 - 1 8 H 2 , 1 - 3 H 3 / t 2 2 - / m 0 / s 1 |
| InChIKey |
H U X F X X W Y I R B V J R - Q F I P X V F Z S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | DRD3 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
