| Collection |
D4 : TTD |
| Chemical Name |
2-ethylestradiol 3,17-O,O-bis-sulfamate ( From PubChem : C H E M B L 4 2 5 2 8 7 ) |
| 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 |
| 458.592 g/mol |
2 |
8 |
5.8383 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 0 H 3 0 N 2 O 6 S 2 / c 1 - 3 - 1 2 - 1 0 - 1 6 - 1 3 ( 1 1 - 1 8 ( 1 2 ) 2 7 - 2 9 ( 2 1 , 2 3 ) 2 4 ) 4 - 5 - 1 5 - 1 4 ( 1 6 ) 8 - 9 - 2 0 ( 2 ) 1 7 ( 1 5 ) 6 - 7 - 1 9 ( 2 0 ) 2 8 - 3 0 ( 2 2 , 2 5 ) 2 6 / h 1 0 - 1 1 , 1 4 - 1 5 , 1 7 , 1 9 H , 3 - 9 H 2 , 1 - 2 H 3 , ( H 2 , 2 1 , 2 3 , 2 4 ) ( H 2 , 2 2 , 2 5 , 2 6 ) / t 1 4 - , 1 5 + , 1 7 - , 1 9 - , 2 0 - / m 0 / s 1 |
| InChIKey |
L D O G E Z T U W B O R P G - S S G A N F L R S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | STS | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
