| Collection |
D4 : TTD |
| Chemical Name |
S-4048 ( From PubChem : D N C 0 0 1 2 5 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 |
| 634.119 g/mol |
3 |
10 |
2.8045 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 4 H 3 6 C l N 3 O 7 / c 1 - 3 2 ( 2 2 - 1 0 - 1 2 - 2 3 ( 3 5 ) 1 3 - 1 1 - 2 2 ) 1 8 - 3 3 ( 3 2 , 2 ) 4 4 - 1 9 - 3 4 ( 3 1 ( 4 2 ) 4 3 ) 1 6 - 2 6 ( 3 9 ) 2 9 ( 4 1 ) 2 7 ( 1 7 - 3 4 ) 4 5 - 2 8 ( 4 0 ) 1 5 - 2 5 ( 2 1 - 7 - 4 - 3 - 5 - 8 - 2 1 ) 3 8 - 2 0 - 3 7 - 3 0 - 2 4 ( 3 8 ) 9 - 6 - 1 4 - 3 6 - 3 0 / h 3 - 1 5 , 2 0 , 2 4 , 2 6 - 2 7 , 2 9 - 3 0 , 3 9 , 4 1 H , 1 6 - 1 9 H 2 , 1 - 2 H 3 , ( H , 4 2 , 4 3 ) / b 2 5 - 1 5 - / t 2 4 - , 2 6 - , 2 7 - , 2 9 - , 3 0 - , 3 2 - , 3 3 - , 3 4 - / m 1 / s 1 |
| InChIKey |
K C M X R Y O A G X X Q D Z - A Z I I M J F Z S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | SLC37A4 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
