| Collection |
D4 : TTD |
| Chemical Name |
PB-81 ( From PubChem : P B - 8 1 ) |
| 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 |
| 521.634 g/mol |
1 |
10 |
3.76038 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 6 H 3 1 N 7 O 3 S / c 1 - 2 6 ( 2 , 3 ) 3 0 - 2 5 ( 3 4 ) 1 7 - 3 3 ( 3 7 ( 3 5 , 3 6 ) 2 3 - 7 - 9 - 2 8 - 1 0 - 8 - 2 3 ) 2 1 - 1 2 - 2 0 - 1 1 - 1 9 ( 1 3 - 2 7 ) 5 - 6 - 2 4 ( 2 0 ) 3 2 ( 1 5 - 2 1 ) 1 6 - 2 2 - 1 4 - 2 9 - 1 8 - 3 1 ( 2 2 ) 4 / h 5 - 1 1 , 1 4 , 1 8 , 2 1 H , 1 2 , 1 5 - 1 7 H 2 , 1 - 4 H 3 , ( H , 3 0 , 3 4 ) / t 2 1 - / m 1 / s 1 |
| InChIKey |
V X Y R L L D U L V R H B Y - O A Q Y L S R U 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
|
