| Collection |
D4 : TTD |
| Chemical Name |
ICI 200,880 ( From PubChem : I C I 2 0 0 8 8 0 ) |
| 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 |
| 687.127 g/mol |
3 |
11 |
5.6677 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 0 H 3 4 C l F 3 N 4 O 7 S / c 1 - 1 6 ( 2 ) 2 3 ( 2 9 ( 4 3 ) 3 6 - 2 8 ( 4 2 ) 2 2 - 6 - 5 - 1 5 - 3 8 ( 2 2 ) 2 4 ( 1 7 ( 3 ) 4 ) 2 5 ( 3 9 ) 3 0 ( 3 2 , 3 3 ) 3 4 ) 3 5 - 2 6 ( 4 0 ) 1 8 - 7 - 9 - 1 9 ( 1 0 - 8 - 1 8 ) 2 7 ( 4 1 ) 3 7 - 4 6 ( 4 4 , 4 5 ) 2 1 - 1 3 - 1 1 - 2 0 ( 3 1 ) 1 2 - 1 4 - 2 1 / h 7 - 1 4 , 1 6 - 1 7 , 2 2 - 2 4 H , 5 - 6 , 1 5 H 2 , 1 - 4 H 3 , ( H , 3 5 , 4 0 ) ( H , 3 7 , 4 1 ) ( H , 3 6 , 4 2 , 4 3 ) / t 2 2 - , 2 3 - , 2 4 ? / m 0 / s 1 |
| InChIKey |
S M C M G L C P S S S O Q E - N T Z A R Q N W 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
|
