| Collection |
D4 : TTD |
| Chemical Name |
L-734115 ( From PubChem : C H E M B L 4 0 5 0 2 ) |
| 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 |
| 498.596 g/mol |
4 |
12 |
1.7604 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 1 H 3 4 N 6 O 6 S / c 1 - 2 - 3 - 1 2 - 3 4 ( 3 2 , 3 3 ) 2 5 - 1 7 ( 2 1 ( 3 0 ) 3 1 ) 1 4 - 2 3 - 1 9 ( 2 8 ) 1 6 - 1 3 - 1 8 - 2 0 ( 2 9 ) 2 6 ( 1 0 - 1 1 - 2 7 ( 1 8 ) 2 4 - 1 6 ) 9 - 6 - 1 5 - 4 - 7 - 2 2 - 8 - 5 - 1 5 / h 1 3 , 1 5 , 1 7 , 2 2 , 2 5 H , 2 - 1 2 , 1 4 H 2 , 1 H 3 , ( H , 2 3 , 2 8 ) ( H , 3 0 , 3 1 ) / t 1 7 - / m 0 / s 1 |
| InChIKey |
F X B D P M B W P S L D Q Z - K R W D Z B Q O 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
|
