| Collection |
D4 : TTD |
| Chemical Name |
BMS-196085 ( From PubChem : B M S - 1 9 6 0 8 5 ) |
| 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 |
| 492.535 g/mol |
4 |
7 |
5.5168 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 4 H 2 6 F 2 N 2 O 5 S / c 1 - 3 4 ( 3 1 , 3 2 ) 2 8 - 2 1 - 1 4 - 1 8 ( 9 - 1 2 - 2 2 ( 2 1 ) 2 9 ) 2 3 ( 3 0 ) 1 5 - 2 7 - 2 0 ( 1 3 - 1 6 - 5 - 3 - 2 - 4 - 6 - 1 6 ) 1 7 - 7 - 1 0 - 1 9 ( 1 1 - 8 - 1 7 ) 3 3 - 2 4 ( 2 5 ) 2 6 / h 2 - 1 2 , 1 4 , 2 0 , 2 3 - 2 4 , 2 7 - 3 0 H , 1 3 , 1 5 H 2 , 1 H 3 / t 2 0 - , 2 3 + / m 1 / s 1 |
| InChIKey |
X W L V O J Z V W R C R M D - O F N K I Y A S S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | ADRB3 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
