| Collection |
D4 : TTD |
| Chemical Name |
NSC-651016 ( From PubChem : N S C - 6 5 1 0 1 6 ) |
| 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 |
| 1180.99 g/mol |
8 |
25 |
8.357 |
False(0/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 3 H 3 6 N 1 0 O 1 7 S 4 . 4 N a / c 1 - 5 2 - 1 9 - 2 3 ( 1 3 - 3 5 ( 5 2 ) 4 1 ( 5 6 ) 5 0 - 3 1 - 7 - 9 - 3 7 ( 7 3 ( 6 5 , 6 6 ) 6 7 ) 2 9 - 1 5 - 2 5 ( 7 1 ( 5 9 , 6 0 ) 6 1 ) 3 - 5 - 2 7 ( 2 9 ) 3 1 ) 4 6 - 3 9 ( 5 4 ) 3 3 - 1 1 - 2 1 ( 1 7 - 4 4 - 3 3 ) 4 8 - 4 3 ( 5 8 ) 4 9 - 2 2 - 1 2 - 3 4 ( 4 5 - 1 8 - 2 2 ) 4 0 ( 5 5 ) 4 7 - 2 4 - 1 4 - 3 6 ( 5 3 ( 2 ) 2 0 - 2 4 ) 4 2 ( 5 7 ) 5 1 - 3 2 - 8 - 1 0 - 3 8 ( 7 4 ( 6 8 , 6 9 ) 7 0 ) 3 0 - 1 6 - 2 6 ( 7 2 ( 6 2 , 6 3 ) 6 4 ) 4 - 6 - 2 8 ( 3 0 ) 3 2 ; ; ; ; / h 3 - 2 0 , 4 4 - 4 5 H , 1 - 2 H 3 , ( H , 4 6 , 5 4 ) ( H , 4 7 , 5 5 ) ( H , 5 0 , 5 6 ) ( H , 5 1 , 5 7 ) ( H 2 , 4 8 , 4 9 , 5 8 ) ( H , 5 9 , 6 0 , 6 1 ) ( H , 6 2 , 6 3 , 6 4 ) ( H , 6 5 , 6 6 , 6 7 ) ( H , 6 8 , 6 9 , 7 0 ) ; ; ; ; / q ; 4 * + 1 / p - 4 |
| InChIKey |
Q H D N O G P T Z Q F R D E - U H F F F A O Y S A - J
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | CCR2 | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
