| Collection |
D4 : TTD |
| Chemical Name |
ADS-102550 ( From PubChem : C H E M B L 2 1 7 7 1 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 |
| 386.425 g/mol |
3 |
9 |
3.0309 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 8 H 1 8 N 4 O 4 S / c 2 3 - 1 8 ( 2 1 - 2 4 ) 1 7 - 4 - 3 - 1 6 ( 2 7 - 1 7 ) 1 3 - 5 - 7 - 2 2 ( 2 0 - 1 3 ) 8 - 6 - 1 9 - 1 0 - 1 2 - 1 - 2 - 1 4 - 1 5 ( 9 - 1 2 ) 2 6 - 1 1 - 2 5 - 1 4 / h 1 - 5 , 7 , 9 , 1 9 , 2 4 H , 6 , 8 , 1 0 - 1 1 H 2 , ( H , 2 1 , 2 3 ) |
| InChIKey |
C C C C P S H F L X Q U B H - 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 | HDAC1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
