| Collection |
D4 : TTD |
| Chemical Name |
IRL-1722 ( From PubChem : C H E M B L 4 1 8 8 9 8 ) |
| 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 |
| 348.395 g/mol |
3 |
4 |
3.4744 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 1 H 2 0 N 2 O 3 / c 2 4 - 2 0 ( 1 7 - 1 1 - 1 6 ( 1 7 ) 1 3 - 6 - 2 - 1 - 3 - 7 - 1 3 ) 2 3 - 1 9 ( 2 1 ( 2 5 ) 2 6 ) 1 0 - 1 4 - 1 2 - 2 2 - 1 8 - 9 - 5 - 4 - 8 - 1 5 ( 1 4 ) 1 8 / h 1 - 9 , 1 2 , 1 6 - 1 7 , 1 9 , 2 2 H , 1 0 - 1 1 H 2 , ( H , 2 3 , 2 4 ) ( H , 2 5 , 2 6 ) / t 1 6 - , 1 7 + , 1 9 + / m 1 / s 1 |
| InChIKey |
D R P G A D Q F I J J W N Z - A O I W G V F Y S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | EDNRB | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
