| Collection |
D4 : TTD |
| Chemical Name |
RO-44-3888 ( From PubChem : C H E M B L 6 5 2 6 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 |
| 376.407 g/mol |
4 |
9 |
1.31 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 8 H 2 4 N 4 O 5 / c 1 - 1 1 ( 2 1 - 1 7 ( 2 5 ) 1 3 - 4 - 2 - 1 2 ( 3 - 5 - 1 3 ) 1 6 ( 1 9 ) 2 0 ) 1 8 ( 2 6 ) 2 2 - 8 - 6 - 1 4 ( 7 - 9 - 2 2 ) 2 7 - 1 0 - 1 5 ( 2 3 ) 2 4 / h 2 - 5 , 1 1 , 1 4 H , 6 - 1 0 H 2 , 1 H 3 , ( H 3 , 1 9 , 2 0 ) ( H , 2 1 , 2 5 ) ( H , 2 3 , 2 4 ) / t 1 1 - / m 0 / s 1 |
| InChIKey |
B H O G T S L Q M N C J H A - N S H D S A C A 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
|
