| Collection |
D4 : TTD |
| Chemical Name |
L-746233 ( From PubChem : C H E M B L 7 9 2 9 4 ) |
| 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 |
| 515.582 g/mol |
4 |
11 |
2.7179 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 4 H 2 9 N 5 O 6 S / c 3 0 - 2 2 ( 2 7 - 1 4 - 2 1 ( 2 4 ( 3 2 ) 3 3 ) 2 8 - 3 6 ( 3 4 , 3 5 ) 1 9 - 2 - 1 - 8 - 2 6 - 1 3 - 1 9 ) 1 7 - 3 - 4 - 1 8 - 1 5 - 2 9 ( 2 3 ( 3 1 ) 2 0 ( 1 8 ) 1 2 - 1 7 ) 1 1 - 7 - 1 6 - 5 - 9 - 2 5 - 1 0 - 6 - 1 6 / h 1 - 4 , 8 , 1 2 - 1 3 , 1 6 , 2 1 , 2 5 , 2 8 H , 5 - 7 , 9 - 1 1 , 1 4 - 1 5 H 2 , ( H , 2 7 , 3 0 ) ( H , 3 2 , 3 3 ) / t 2 1 - / m 0 / s 1 |
| InChIKey |
F V G F T Y F Y G P W T I R - N R F A N R H F 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
|
