| Collection |
D4 : TTD |
| Chemical Name |
BAF312 ( From PubChem : U N I I - R R 6 P 8 L 2 8 2 I ) |
| 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 |
| 516.595 g/mol |
1 |
5 |
6.7106 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 9 H 3 5 F 3 N 2 O 3 / c 1 - 3 - 2 1 - 1 4 - 2 3 ( 1 0 - 1 1 - 2 4 ( 2 1 ) 1 5 - 3 4 - 1 6 - 2 5 ( 1 7 - 3 4 ) 2 8 ( 3 5 ) 3 6 ) 1 9 ( 2 ) 3 3 - 3 7 - 1 8 - 2 0 - 9 - 1 2 - 2 6 ( 2 2 - 7 - 5 - 4 - 6 - 8 - 2 2 ) 2 7 ( 1 3 - 2 0 ) 2 9 ( 3 0 , 3 1 ) 3 2 / h 9 - 1 4 , 2 2 , 2 5 H , 3 - 8 , 1 5 - 1 8 H 2 , 1 - 2 H 3 , ( H , 3 5 , 3 6 ) / b 3 3 - 1 9 + |
| InChIKey |
K I H Y P E L V X P A I D H - H N S N B Q B Z S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Drug(s) | S1PR1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
