| Collection |
D4 : TTD |
| Chemical Name |
L-703014 ( From PubChem : C H E M B L 3 2 5 6 8 7 ) |
| 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 |
| 428.525 g/mol |
5 |
7 |
3.0666 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 3 H 3 2 N 4 O 4 / c 2 8 - 2 1 ( 7 - 3 - 4 - 1 6 - 1 0 - 1 2 - 2 4 - 1 3 - 1 1 - 1 6 ) 2 6 - 1 5 - 2 2 ( 2 9 ) 2 7 - 2 0 ( 2 3 ( 3 0 ) 3 1 ) 9 - 8 - 1 7 - 1 4 - 2 5 - 1 9 - 6 - 2 - 1 - 5 - 1 8 ( 1 7 ) 1 9 / h 1 - 2 , 5 - 6 , 1 4 , 1 6 , 2 0 , 2 4 - 2 5 H , 3 - 4 , 7 - 1 3 , 1 5 H 2 , ( H , 2 6 , 2 8 ) ( H , 2 7 , 2 9 ) ( H , 3 0 , 3 1 ) / t 2 0 - / m 1 / s 1 |
| InChIKey |
W D R K D C B K B C R Z S K - H X U W F J F H S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | ITGB3 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
