| Collection |
D4 : TTD |
| Chemical Name |
SB-328872 ( From PubChem : C H E M B L 1 9 0 5 3 3 ) |
| 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 |
| 550.755 g/mol |
2 |
8 |
5.4867 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 1 H 4 2 N 4 O 3 S / c 1 - 2 2 ( 2 ) 1 8 - 2 7 ( 3 3 - 3 1 ( 3 7 ) 2 9 - 1 9 - 2 4 - 8 - 5 - 6 - 9 - 2 8 ( 2 4 ) 3 9 - 2 9 ) 3 0 ( 3 6 ) 3 2 - 2 5 - 1 4 - 1 6 - 3 5 ( 2 1 - 2 5 ) 2 0 - 2 3 - 1 0 - 1 2 - 2 6 ( 1 3 - 1 1 - 2 3 ) 3 8 - 1 7 - 7 - 1 5 - 3 4 ( 3 ) 4 / h 5 - 6 , 8 - 1 3 , 1 9 , 2 2 , 2 5 , 2 7 H , 7 , 1 4 - 1 8 , 2 0 - 2 1 H 2 , 1 - 4 H 3 , ( H , 3 2 , 3 6 ) ( H , 3 3 , 3 7 ) / t 2 5 - , 2 7 - / m 0 / s 1 |
| InChIKey |
H L M W N B I Z K Q I D F C - B D Y U S T A I S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | UTS2R | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
