| Collection |
D4 : TTD |
| Chemical Name |
Epothilone B ( From PubChem : E P O T H I L O N E B ) |
| 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 |
| 507.683 g/mol |
2 |
8 |
4.4775 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 7 H 4 1 N O 6 S / c 1 - 1 5 - 9 - 8 - 1 0 - 2 7 ( 7 ) 2 2 ( 3 4 - 2 7 ) 1 2 - 2 0 ( 1 6 ( 2 ) 1 1 - 1 9 - 1 4 - 3 5 - 1 8 ( 4 ) 2 8 - 1 9 ) 3 3 - 2 3 ( 3 0 ) 1 3 - 2 1 ( 2 9 ) 2 6 ( 5 , 6 ) 2 5 ( 3 2 ) 1 7 ( 3 ) 2 4 ( 1 5 ) 3 1 / h 1 1 , 1 4 - 1 5 , 1 7 , 2 0 - 2 2 , 2 4 , 2 9 , 3 1 H , 8 - 1 0 , 1 2 - 1 3 H 2 , 1 - 7 H 3 / b 1 6 - 1 1 + / t 1 5 - , 1 7 + , 2 0 - , 2 1 - , 2 2 - , 2 4 - , 2 7 + / m 0 / s 1 |
| InChIKey |
Q X R S D H A A W V K Z L J - P V Y N A D R N S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | TUBB | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
