| Collection |
D4 : TTD |
| Chemical Name |
GT-1282;NIBR-1282 ( From PubChem : C H E M B L 2 5 5 8 5 8 ) |
| 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 |
| 499.647 g/mol |
0 |
5 |
5.3001 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 0 H 3 7 N 5 O 2 / c 1 - 2 3 - 1 1 - 1 9 - 3 4 ( 3 7 ) 2 4 ( 2 ) 2 8 ( 2 3 ) 2 9 ( 3 6 ) 3 2 - 2 0 - 1 4 - 3 0 ( 3 , 1 5 - 2 1 - 3 2 ) 3 3 - 1 7 - 1 2 - 2 6 ( 1 3 - 1 8 - 3 3 ) 3 5 ( 2 5 - 8 - 5 - 4 - 6 - 9 - 2 5 ) 2 7 - 1 0 - 7 - 1 6 - 3 1 - 2 2 - 2 7 / h 4 - 1 1 , 1 6 , 1 9 , 2 2 , 2 6 H , 1 2 - 1 5 , 1 7 - 1 8 , 2 0 - 2 1 H 2 , 1 - 3 H 3 |
| InChIKey |
D D V V R H N N O P Q P G B - U H F F F A O Y S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | CCR5 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
