| Collection |
D4 : TTD |
| Chemical Name |
3 9-DIHYDRO-N-DESMETHYL-N-ISOPROPYLERYTHROMYCIN A ( From PubChem : C H E M B L 5 8 4 5 4 9 ) |
| 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 |
| 763.996 g/mol |
6 |
14 |
2.356 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 9 H 7 3 N O 1 3 / c 1 - 1 5 - 2 7 - 3 9 ( 1 2 , 4 7 ) 3 2 ( 4 3 ) 2 2 ( 6 ) 2 9 ( 4 1 ) 2 0 ( 4 ) 1 7 - 3 7 ( 1 0 , 4 6 ) 3 4 ( 5 3 - 3 6 - 3 0 ( 4 2 ) 2 6 ( 1 6 - 2 1 ( 5 ) 4 9 - 3 6 ) 4 0 ( 1 3 ) 1 9 ( 2 ) 3 ) 2 3 ( 7 ) 3 1 ( 2 4 ( 8 ) 3 5 ( 4 5 ) 5 1 - 2 7 ) 5 2 - 2 8 - 1 8 - 3 8 ( 1 1 , 4 8 - 1 4 ) 3 3 ( 4 4 ) 2 5 ( 9 ) 5 0 - 2 8 / h 1 9 - 3 4 , 3 6 , 4 1 - 4 4 , 4 6 - 4 7 H , 1 5 - 1 8 H 2 , 1 - 1 4 H 3 / t 2 0 - , 2 1 - , 2 2 + , 2 3 + , 2 4 - , 2 5 + , 2 6 + , 2 7 - , 2 8 + , 2 9 + , 3 0 - , 3 1 + , 3 2 - , 3 3 + , 3 4 - , 3 6 + , 3 7 - , 3 8 - , 3 9 - / m 1 / s 1 |
| InChIKey |
R X J C J W P P K S Q M A S - I R N F S O K P S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | KCNH2 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
