| Collection |
D4 : TTD |
| Chemical Name |
CP-305202 ( From PubChem : C H E M B L 1 2 7 6 4 9 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 |
| 512.681 g/mol |
3 |
7 |
5.3294 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 0 H 4 4 N 2 O 5 / c 1 - 2 1 ( 2 ) 1 8 - 2 5 ( 3 3 ) 2 9 ( 3 4 ) 2 4 ( 1 9 - 2 2 - 1 0 - 5 - 4 - 6 - 1 1 - 2 2 ) 3 2 - 3 0 ( 3 5 ) 2 8 - 2 6 ( 3 6 - 3 ) 1 4 - 7 - 1 5 - 2 7 ( 2 8 ) 3 7 - 1 7 - 9 - 1 3 - 2 3 - 1 2 - 8 - 1 6 - 3 1 - 2 0 - 2 3 / h 7 - 8 , 1 2 , 1 4 - 1 6 , 2 0 - 2 2 , 2 4 - 2 5 , 2 9 , 3 3 - 3 4 H , 4 - 6 , 9 - 1 1 , 1 3 , 1 7 - 1 9 H 2 , 1 - 3 H 3 , ( H , 3 2 , 3 5 ) / t 2 4 - , 2 5 - , 2 9 + / m 0 / s 1 |
| InChIKey |
P J Z B K G N A K H K H S H - I A L V Y G I M S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | REN | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
