| Collection |
D4 : TTD |
| Chemical Name |
Noccardimicin E ( From PubChem : N O C C A R D I M I C I N E ) |
| 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 |
| 769.967 g/mol |
5 |
13 |
6.3855 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 1 H 6 3 N 5 O 9 / c 1 - 4 - 5 - 6 - 7 - 8 - 9 - 1 0 - 1 1 - 1 2 - 1 3 - 1 4 - 2 5 - 3 6 ( 2 9 ( 2 ) 3 7 ( 4 9 ) 4 3 - 3 2 - 2 2 - 1 7 - 1 9 - 2 6 - 4 2 - 3 8 ( 3 2 ) 5 0 ) 5 5 - 4 1 ( 5 2 ) 3 3 ( 2 3 - 1 8 - 2 0 - 2 7 - 4 6 ( 5 3 ) 3 0 ( 3 ) 4 7 ) 4 4 - 3 9 ( 5 1 ) 3 4 - 2 8 - 5 4 - 4 0 ( 4 5 - 3 4 ) 3 1 - 2 1 - 1 5 - 1 6 - 2 4 - 3 5 ( 3 1 ) 4 8 / h 1 5 - 1 6 , 2 1 , 2 4 , 2 8 - 2 9 , 3 2 - 3 3 , 3 6 , 4 5 , 5 3 H , 4 - 1 4 , 1 7 - 2 0 , 2 2 - 2 3 , 2 5 - 2 7 H 2 , 1 - 3 H 3 , ( H , 4 2 , 5 0 ) ( H , 4 3 , 4 9 ) ( H , 4 4 , 5 1 ) / b 4 0 - 3 1 + |
| InChIKey |
W H Z H P A Q H C K W E A A - M N I D X L E S S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | CHRM3 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
