| Collection |
D4 : TTD |
| Chemical Name |
Bosentan hydrate ( From PubChem : B O S E N T A N H Y D R A T E ) |
| 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 |
| 569.629 g/mol |
3 |
12 |
5.2934 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 7 H 2 9 N 5 O 6 S . H 2 O / c 1 - 2 7 ( 2 , 3 ) 1 8 - 1 0 - 1 2 - 1 9 ( 1 3 - 1 1 - 1 8 ) 3 9 ( 3 4 , 3 5 ) 3 2 - 2 3 - 2 2 ( 3 8 - 2 1 - 9 - 6 - 5 - 8 - 2 0 ( 2 1 ) 3 6 - 4 ) 2 6 ( 3 7 - 1 7 - 1 6 - 3 3 ) 3 1 - 2 5 ( 3 0 - 2 3 ) 2 4 - 2 8 - 1 4 - 7 - 1 5 - 2 9 - 2 4 ; / h 5 - 1 5 , 3 3 H , 1 6 - 1 7 H 2 , 1 - 4 H 3 , ( H , 3 0 , 3 1 , 3 2 ) ; 1 H 2 |
| InChIKey |
S X T R W V V I E P W A K M - U H F F F A O Y S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Antagonist | EDNRB | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
