| Collection |
D4 : TTD |
| Chemical Name |
AMD3101 ( From PubChem : A M D 3 1 0 1 ) |
| 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 |
| 281.268 g/mol |
6 |
8 |
-2.4483 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 1 1 H 1 5 N 5 O 4 / c 1 2 - 1 1 - 1 5 - 5 - 3 ( 1 - 1 3 - 7 ( 5 ) 1 0 ( 2 0 ) 1 6 - 1 1 ) 6 - 9 ( 1 9 ) 8 ( 1 8 ) 4 ( 2 - 1 7 ) 1 4 - 6 / h 1 , 3 - 4 , 6 , 8 - 9 , 1 4 , 1 7 - 1 9 H , 2 H 2 , ( H 3 , 1 2 , 1 5 , 1 6 , 2 0 ) / t 3 - , 4 - , 6 - , 8 - , 9 - / m 1 / s 1 |
| InChIKey |
B G F L A A D K W C X X Q C - X Q C C P D K N S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Antagonist | CXCR6 | | | Research target |
|
| Download gene sets |
gmt, text, Detailed text
|
