| Collection |
D4 : CTD |
| Chemical Name |
icatibant ( From PubChem : I C A T I B A N T ) |
| FDA |
NPC |
WHO |
Indian |
Australia |
China |
Traditional
Herbal |
Clinical
Trail |
| Approved | Not | Not | Not | Not | Not | Not | Not |
|
Molecular
Weight |
Hydrogen Bond
Donor Count |
Hydrogen Bond
Acceptor Count |
cLogP |
Lipinski Rule |
| 1304.52 g/mol |
15 |
33 |
1.5852 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 5 9 H 8 9 N 1 9 O 1 3 S / c 6 0 - 3 7 ( 1 4 - 5 - 1 9 - 6 7 - 5 7 ( 6 1 ) 6 2 ) 4 8 ( 8 2 ) 7 2 - 3 8 ( 1 5 - 6 - 2 0 - 6 8 - 5 8 ( 6 3 ) 6 4 ) 5 2 ( 8 6 ) 7 5 - 2 2 - 8 - 1 8 - 4 3 ( 7 5 ) 5 4 ( 8 8 ) 7 7 - 3 0 - 3 5 ( 8 0 ) 2 6 - 4 4 ( 7 7 ) 5 0 ( 8 4 ) 7 0 - 2 8 - 4 7 ( 8 1 ) 7 1 - 4 0 ( 2 7 - 3 6 - 1 3 - 9 - 2 3 - 9 2 - 3 6 ) 4 9 ( 8 3 ) 7 4 - 4 1 ( 3 1 - 7 9 ) 5 3 ( 8 7 ) 7 6 - 2 9 - 3 4 - 1 2 - 2 - 1 - 1 0 - 3 2 ( 3 4 ) 2 4 - 4 6 ( 7 6 ) 5 5 ( 8 9 ) 7 8 - 4 2 - 1 7 - 4 - 3 - 1 1 - 3 3 ( 4 2 ) 2 5 - 4 5 ( 7 8 ) 5 1 ( 8 5 ) 7 3 - 3 9 ( 5 6 ( 9 0 ) 9 1 ) 1 6 - 7 - 2 1 - 6 9 - 5 9 ( 6 5 ) 6 6 / h 1 - 2 , 9 - 1 0 , 1 2 - 1 3 , 2 3 , 3 3 , 3 5 , 3 7 - 4 6 , 7 9 - 8 0 H , 3 - 8 , 1 1 , 1 4 - 2 2 , 2 4 - 3 1 , 6 0 H 2 , ( H , 7 0 , 8 4 ) ( H , 7 1 , 8 1 ) ( H , 7 2 , 8 2 ) ( H , 7 3 , 8 5 ) ( H , 7 4 , 8 3 ) ( H , 9 0 , 9 1 ) ( H 4 , 6 1 , 6 2 , 6 7 ) ( H 4 , 6 3 , 6 4 , 6 8 ) ( H 4 , 6 5 , 6 6 , 6 9 ) / t 3 3 ? , 3 5 - , 3 7 - , 3 8 ? , 3 9 + , 4 0 + , 4 1 + , 4 2 ? , 4 3 ? , 4 4 ? , 4 5 ? , 4 6 ? / m 1 / s 1 |
| InChIKey |
Q U R W X B Z N H X J Z B E - Y Z K F A R T J S A - N
|
| Links |
|
Gene
(4 /
11)
⊖ Less
|
|
| Download gene sets |
gmt, text, Detailed text
|
