| Collection |
D4 : TTD |
| Chemical Name |
SGN-75 ( From PubChem : M A F O D O T I N ( U S A N ) ) |
| 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 |
| 925.161 g/mol |
3 |
17 |
4.4856 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 9 H 7 6 N 6 O 1 1 / c 1 - 1 2 - 3 2 ( 6 ) 4 4 ( 3 7 ( 6 5 - 1 0 ) 2 9 - 4 1 ( 5 9 ) 5 4 - 2 7 - 1 9 - 2 2 - 3 6 ( 5 4 ) 4 5 ( 6 6 - 1 1 ) 3 3 ( 7 ) 4 6 ( 6 0 ) 5 0 - 3 5 ( 4 9 ( 6 3 ) 6 4 ) 2 8 - 3 4 - 2 0 - 1 5 - 1 3 - 1 6 - 2 1 - 3 4 ) 5 3 ( 9 ) 4 8 ( 6 2 ) 4 2 ( 3 0 ( 2 ) 3 ) 5 1 - 4 7 ( 6 1 ) 4 3 ( 3 1 ( 4 ) 5 ) 5 2 ( 8 ) 3 8 ( 5 6 ) 2 3 - 1 7 - 1 4 - 1 8 - 2 6 - 5 5 - 3 9 ( 5 7 ) 2 4 - 2 5 - 4 0 ( 5 5 ) 5 8 / h 1 3 , 1 5 - 1 6 , 2 0 - 2 1 , 2 4 - 2 5 , 3 0 - 3 3 , 3 5 - 3 7 , 4 2 - 4 5 H , 1 2 , 1 4 , 1 7 - 1 9 , 2 2 - 2 3 , 2 6 - 2 9 H 2 , 1 - 1 1 H 3 , ( H , 5 0 , 6 0 ) ( H , 5 1 , 6 1 ) ( H , 6 3 , 6 4 ) / t 3 2 - , 3 3 + , 3 5 - , 3 6 ? , 3 7 + , 4 2 - , 4 3 - , 4 4 - , 4 5 + / m 0 / s 1 |
| InChIKey |
O R F N V P G I C P Y L J V - W A I M B N J Q S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Drug(s) | CD70 | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
