| Collection |
D4 : TTD |
| Chemical Name |
MDL-105212 ( From PubChem : C H E M B L 3 3 0 3 6 6 ) |
| 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 |
| 640.597 g/mol |
1 |
8 |
6.2884 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 4 H 3 9 C l 2 N 3 O 5 / c 1 - 4 2 - 2 8 - 1 9 - 2 3 ( 2 0 - 2 9 ( 4 3 - 2 ) 3 0 ( 2 8 ) 4 4 - 3 ) 3 1 ( 4 0 ) 3 9 - 1 8 - 1 2 - 3 3 ( 2 2 - 3 9 , 2 5 - 9 - 1 0 - 2 6 ( 3 5 ) 2 7 ( 3 6 ) 2 1 - 2 5 ) 1 1 - 1 5 - 3 8 - 1 6 - 1 3 - 3 4 ( 1 4 - 1 7 - 3 8 , 3 2 ( 3 7 ) 4 1 ) 2 4 - 7 - 5 - 4 - 6 - 8 - 2 4 / h 4 - 1 0 , 1 9 - 2 1 H , 1 1 - 1 8 , 2 2 H 2 , 1 - 3 H 3 , ( H 2 , 3 7 , 4 1 ) / t 3 3 - / m 0 / s 1 |
| InChIKey |
W Z M V Q Z J K O V P V G Z - X I F F E E R X S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | HRH1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
