| Collection |
D4 : TTD |
| Chemical Name |
FR-901451 ( From PubChem : C H E M B L 4 0 3 8 9 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 |
| 1284.37 g/mol |
14 |
30 |
0.497 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 6 1 H 8 1 N 1 3 O 1 8 / c 1 - 3 0 ( 2 ) 2 3 - 3 9 - 5 3 ( 8 1 ) 6 5 - 3 7 - 1 7 - 1 0 - 1 1 - 2 1 - 6 3 - 4 6 ( 7 6 ) 2 7 - 4 3 ( 6 1 ( 8 9 ) 9 0 ) 7 1 - 5 5 ( 8 3 ) 4 1 - 2 8 - 4 8 ( 7 8 ) 9 1 - 2 9 - 4 4 ( 7 2 - 5 7 ( 8 5 ) 4 5 - 1 8 - 1 2 - 2 2 - 7 4 ( 4 5 ) 6 0 ( 8 8 ) 4 2 ( 7 0 - 5 1 ( 3 7 ) 7 9 ) 2 4 - 3 3 - 1 3 - 6 - 5 - 7 - 1 4 - 3 3 ) 5 6 ( 8 4 ) 6 6 - 3 8 ( 1 9 - 2 0 - 4 7 ( 7 7 ) 9 2 - 3 2 ( 4 ) 5 0 ( 5 9 ( 8 7 ) 6 9 - 3 9 ) 7 3 - 5 8 ( 8 6 ) 4 9 ( 6 2 ) 3 1 ( 3 ) 7 5 ) 5 2 ( 8 0 ) 6 7 - 4 0 ( 5 4 ( 8 2 ) 6 8 - 4 1 ) 2 6 - 3 5 - 2 5 - 3 4 - 1 5 - 8 - 9 - 1 6 - 3 6 ( 3 4 ) 6 4 - 3 5 / h 5 - 9 , 1 3 - 1 6 , 2 5 , 3 0 - 3 2 , 3 7 - 4 5 , 4 9 - 5 0 , 6 4 , 7 5 H , 1 0 - 1 2 , 1 7 - 2 4 , 2 6 - 2 9 , 6 2 H 2 , 1 - 4 H 3 , ( H , 6 3 , 7 6 ) ( H , 6 5 , 8 1 ) ( H , 6 6 , 8 4 ) ( H , 6 7 , 8 0 ) ( H , 6 8 , 8 2 ) ( H , 6 9 , 8 7 ) ( H , 7 0 , 7 9 ) ( H , 7 1 , 8 3 ) ( H , 7 2 , 8 5 ) ( H , 7 3 , 8 6 ) ( H , 8 9 , 9 0 ) / t 3 1 - , 3 2 + , 3 7 ? , 3 8 ? , 3 9 + , 4 0 + , 4 1 ? , 4 2 + , 4 3 + , 4 4 ? , 4 5 ? , 4 9 + , 5 0 + / m 1 / s 1 |
| InChIKey |
O B J R D B Y S S A E A R M - C A R O D T H B S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | ELANE | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
