| Collection |
D4 : TTD |
| Chemical Name |
PD-83176 ( From PubChem : C H E M B L 2 1 7 4 2 3 ) |
| 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 |
| 976.085 g/mol |
8 |
16 |
7.1089 |
False(0/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 5 4 H 5 7 N 9 O 9 / c 1 - 3 5 ( 4 9 ( 5 5 ) 6 4 ) 5 9 - 5 0 ( 6 5 ) 4 6 ( 2 6 - 4 0 - 2 8 - 5 7 - 4 4 - 2 0 - 1 2 - 1 1 - 1 9 - 4 3 ( 4 0 ) 4 4 ) 6 1 - 5 3 ( 6 8 ) 4 8 ( 3 3 - 7 0 - 3 0 - 3 7 - 1 3 - 5 - 2 - 6 - 1 4 - 3 7 ) 6 2 - 5 1 ( 6 6 ) 4 5 ( 2 5 - 3 6 - 2 1 - 2 3 - 4 2 ( 2 4 - 2 2 - 3 6 ) 7 1 - 3 1 - 3 8 - 1 5 - 7 - 3 - 8 - 1 6 - 3 8 ) 6 0 - 5 2 ( 6 7 ) 4 7 ( 2 7 - 4 1 - 2 9 - 5 6 - 3 4 - 5 8 - 4 1 ) 6 3 - 5 4 ( 6 9 ) 7 2 - 3 2 - 3 9 - 1 7 - 9 - 4 - 1 0 - 1 8 - 3 9 / h 2 - 2 4 , 2 8 - 2 9 , 3 4 - 3 5 , 4 5 - 4 8 , 5 7 H , 2 5 - 2 7 , 3 0 - 3 3 H 2 , 1 H 3 , ( H 2 , 5 5 , 6 4 ) ( H , 5 6 , 5 8 ) ( H , 5 9 , 6 5 ) ( H , 6 0 , 6 7 ) ( H , 6 1 , 6 8 ) ( H , 6 2 , 6 6 ) ( H , 6 3 , 6 9 ) / t 3 5 - , 4 5 + , 4 6 + , 4 7 + , 4 8 + / m 1 / s 1 |
| InChIKey |
L M B P T R X C F X W L R W - Z Y I G O E B I S A - N
|
| Links |
|
Gene
(3 /
4)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | CH17-360D5.1 | | | Discontinued target | | TTD | Inhibitor | FNTA | | | Discontinued target | | TTD | Inhibitor | FNTB | | | Research target | | TTD | Inhibitor | FNTB | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
