| Collection |
D4 : TTD |
| Chemical Name |
L-694,458 ( From PubChem : 1 5 7 3 4 1 - 4 1 - 8 ) |
| 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 |
| 564.672 g/mol |
1 |
10 |
4.612 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 1 H 4 0 N 4 O 6 / c 1 - 5 - 8 - 2 4 ( 2 2 - 1 1 - 1 4 - 2 5 - 2 6 ( 1 9 - 2 2 ) 4 0 - 2 0 - 3 9 - 2 5 ) 3 2 - 3 0 ( 3 8 ) 3 5 - 2 8 ( 3 7 ) 3 1 ( 6 - 2 , 7 - 3 ) 2 9 ( 3 5 ) 4 1 - 2 3 - 1 2 - 9 - 2 1 ( 1 0 - 1 3 - 2 3 ) 2 7 ( 3 6 ) 3 4 - 1 7 - 1 5 - 3 3 ( 4 ) 1 6 - 1 8 - 3 4 / h 9 - 1 4 , 1 9 , 2 4 , 2 9 H , 5 - 8 , 1 5 - 1 8 , 2 0 H 2 , 1 - 4 H 3 , ( H , 3 2 , 3 8 ) / t 2 4 - , 2 9 + / m 1 / s 1 |
| InChIKey |
Z S D C I R Y N T C V T M F - G I G W Z H C T S A - N
|
| Links |
|
Gene
(2 /
4)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | ELANE | | | Successful target | | TTD | Inhibitor | MPO | | | Clinical trial target | | TTD | Drug(s) | MPO | | | Clinical trial target | | ChEMBL | Activity | - | | ELANE
| - |  | Target : CHEMBL248 |
|
| Download gene sets |
gmt, text, Detailed text
|
