| Collection |
D4 : TTD |
| Chemical Name |
PPACK ( From PubChem : D - P H E - P R O - A R G C H 2 C L ) |
| 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 |
| 450.962 g/mol |
4 |
9 |
2.3234 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 1 H 3 1 C l N 6 O 3 / c 2 2 - 1 3 - 1 8 ( 2 9 ) 1 6 ( 8 - 4 - 1 0 - 2 6 - 2 1 ( 2 4 ) 2 5 ) 2 8 - 1 1 - 5 - 9 - 1 7 ( 2 8 ) 2 0 ( 3 1 ) 2 7 - 1 9 ( 3 0 ) 1 5 ( 2 3 ) 1 2 - 1 4 - 6 - 2 - 1 - 3 - 7 - 1 4 / h 1 - 3 , 6 - 7 , 1 5 - 1 7 H , 4 - 5 , 8 - 1 3 , 2 3 H 2 , ( H 4 , 2 4 , 2 5 , 2 6 ) ( H , 2 7 , 3 0 , 3 1 ) / t 1 5 - , 1 6 + , 1 7 + / m 1 / s 1 |
| InChIKey |
B B L O J O H I P X A I R Z - I K G G R Y G D S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | F2 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
