| Collection |
D4 : TTD |
| Chemical Name |
Sp-876 ( From PubChem : C H E M B L 4 1 8 8 7 5 ) |
| 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 |
| 499.492 g/mol |
5 |
13 |
1.2789 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 0 H 2 5 N 3 O 1 0 S / c 2 4 - 1 6 ( 2 5 ) 8 - 7 - 1 4 ( 2 0 ( 3 0 ) 3 1 ) 2 2 - 1 8 ( 2 8 ) 1 2 - 3 - 5 - 1 3 ( 6 - 4 - 1 2 ) 3 4 ( 3 2 , 3 3 ) 2 3 - 1 1 - 1 - 2 - 1 5 ( 2 3 ) 1 9 ( 2 9 ) 2 1 - 1 0 - 9 - 1 7 ( 2 6 ) 2 7 / h 3 - 6 , 1 4 - 1 5 H , 1 - 2 , 7 - 1 1 H 2 , ( H , 2 1 , 2 9 ) ( H , 2 2 , 2 8 ) ( H , 2 4 , 2 5 ) ( H , 2 6 , 2 7 ) ( H , 3 0 , 3 1 ) / t 1 4 - , 1 5 + / m 0 / s 1 |
| InChIKey |
S R A H B O K V S S Z E H Q - L S D H H A I U S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | TYMS | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
