| Collection |
D4 : TTD |
| Chemical Name |
IRL-1841 ( From PubChem : C H E M B L 4 3 9 7 5 9 ) |
| 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 |
| 497.585 g/mol |
3 |
6 |
4.671 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 0 H 3 1 N 3 O 4 / c 1 - 1 9 - 1 3 - 2 0 ( 2 ) 1 5 - 2 2 ( 1 4 - 1 9 ) 2 9 ( 3 5 ) 3 3 ( 3 ) 2 7 ( 1 6 - 2 1 - 9 - 5 - 4 - 6 - 1 0 - 2 1 ) 2 8 ( 3 4 ) 3 2 - 2 6 ( 3 0 ( 3 6 ) 3 7 ) 1 7 - 2 3 - 1 8 - 3 1 - 2 5 - 1 2 - 8 - 7 - 1 1 - 2 4 ( 2 3 ) 2 5 / h 4 - 1 5 , 1 8 , 2 6 - 2 7 , 3 1 H , 1 6 - 1 7 H 2 , 1 - 3 H 3 , ( H , 3 2 , 3 4 ) ( H , 3 6 , 3 7 ) / t 2 6 - , 2 7 + / m 0 / s 1 |
| InChIKey |
J F N A N C Y I H V A E Q V - R R P N L B N L 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
|
