| Collection |
D4 : TTD |
| Chemical Name |
bile acid ( From PubChem : B I L E A C I D ) |
| 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 |
| 434.652 g/mol |
3 |
4 |
5.36 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 7 H 4 6 O 4 / c 1 - 6 - 1 8 - 2 2 - 1 4 - 1 7 ( 2 8 ) 9 - 1 1 - 2 7 ( 2 2 , 5 ) 2 1 - 1 0 - 1 2 - 2 6 ( 4 ) 1 9 ( 1 5 ( 2 ) 1 3 - 1 6 ( 3 ) 2 5 ( 3 0 ) 3 1 ) 7 - 8 - 2 0 ( 2 6 ) 2 3 ( 2 1 ) 2 4 ( 1 8 ) 2 9 / h 1 5 - 2 4 , 2 8 - 2 9 H , 6 - 1 4 H 2 , 1 - 5 H 3 , ( H , 3 0 , 3 1 ) / t 1 5 - , 1 6 + , 1 7 - , 1 8 - , 1 9 - , 2 0 + , 2 1 + , 2 2 + , 2 3 + , 2 4 - , 2 6 - , 2 7 - / m 1 / s 1 |
| InChIKey |
H S I N O M R O U C M I E A - F G V H Q W L L S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | GPBAR1 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
