| Collection |
D4 : TTD |
| Chemical Name |
SP-4206 ( From PubChem : 5 - [ 2 , 3 - D I C H L O R O - 4 - ( 5 - { 1 - [ 2 - ( 2 - G U A N I D I N O - 4 - M E T H Y L - P E N T A N O Y L A M I N O ) - A C E T Y L ] - P I P E R I D I N - 4 - Y L } - 1 - M E T H Y L - 1 H - P Y R A Z O L - 3 - Y L ) - P H E N O X Y M E T H Y L ] - F U R A N - 2 - C A R B O X Y L I C A C I D ) |
| 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 |
| 662.564 g/mol |
4 |
13 |
5.5038 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 0 H 3 7 C l 2 N 7 O 6 / c 1 - 1 6 ( 2 ) 1 2 - 2 1 ( 3 6 - 3 0 ( 3 3 ) 3 4 ) 2 8 ( 4 1 ) 3 5 - 1 4 - 2 5 ( 4 0 ) 3 9 - 1 0 - 8 - 1 7 ( 9 - 1 1 - 3 9 ) 2 2 - 1 3 - 2 0 ( 3 7 - 3 8 ( 2 2 ) 3 ) 1 9 - 5 - 7 - 2 3 ( 2 7 ( 3 2 ) 2 6 ( 1 9 ) 3 1 ) 4 4 - 1 5 - 1 8 - 4 - 6 - 2 4 ( 4 5 - 1 8 ) 2 9 ( 4 2 ) 4 3 / h 4 - 7 , 1 3 , 1 6 - 1 7 , 2 1 H , 8 - 1 2 , 1 4 - 1 5 H 2 , 1 - 3 H 3 , ( H , 3 5 , 4 1 ) ( H , 4 2 , 4 3 ) ( H 4 , 3 3 , 3 4 , 3 6 ) / t 2 1 - / m 1 / s 1 |
| InChIKey |
V N Z H O I D Q B P F E J U - O A Q Y L S R U S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | IL2RA | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
