| Collection |
D4 : TTD |
| Chemical Name |
A-87049 ( From PubChem : C H E M B L 4 4 5 6 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 |
| 678.77 g/mol |
2 |
10 |
7.0962 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 0 H 4 2 N 2 O 8 / c 1 - 3 - 2 3 - 4 1 ( 2 5 - 2 7 - 1 5 - 1 9 - 3 1 ( 2 0 - 1 6 - 2 7 ) 4 9 - 2 9 - 1 1 - 7 - 5 - 8 - 1 2 - 2 9 ) 3 7 ( 4 3 ) 3 3 - 3 4 ( 3 6 ( 4 0 ( 4 7 ) 4 8 ) 3 5 ( 3 3 ) 3 9 ( 4 5 ) 4 6 ) 3 8 ( 4 4 ) 4 2 ( 2 4 - 4 - 2 ) 2 6 - 2 8 - 1 7 - 2 1 - 3 2 ( 2 2 - 1 8 - 2 8 ) 5 0 - 3 0 - 1 3 - 9 - 6 - 1 0 - 1 4 - 3 0 / h 5 - 2 2 , 3 3 - 3 6 H , 3 - 4 , 2 3 - 2 6 H 2 , 1 - 2 H 3 , ( H , 4 5 , 4 6 ) ( H , 4 7 , 4 8 ) / t 3 3 - , 3 4 - , 3 5 - , 3 6 - / m 0 / s 1 |
| InChIKey |
P N O G M V D D W I L A M R - Z Y A D H F C I S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | FDFT1 | | | Discontinued target |
|
| Download gene sets |
gmt, text, Detailed text
|
