| Collection |
D4 : TTD |
| Chemical Name |
NSC-94891 ( From PubChem : C H E M B L 5 7 4 9 6 0 ) |
| 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 |
| 302.408 g/mol |
0 |
3 |
3.6698 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 9 H 2 6 O 3 / c 1 - 1 1 - 1 5 - 1 0 - 1 2 ( 2 0 ) 6 - 9 - 1 9 ( 3 , 2 2 - 1 5 ) 1 4 - 7 - 8 - 1 8 ( 2 ) 1 3 ( 1 7 ( 1 1 ) 1 4 ) 4 - 5 - 1 6 ( 1 8 ) 2 1 / h 1 0 - 1 1 , 1 3 - 1 4 , 1 7 H , 4 - 9 H 2 , 1 - 3 H 3 / t 1 1 - , 1 3 - , 1 4 - , 1 7 - , 1 8 - , 1 9 - / m 0 / s 1 |
| InChIKey |
P C Q J X I D D N R A K D R - H T Z O K L M B S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | CYP19A1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
