| Collection |
D4 : TTD |
| Chemical Name |
E-913 ( From PubChem : E 9 1 3 ) |
| 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 |
| 483.643 g/mol |
1 |
7 |
4.0945 |
True |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 8 H 4 1 N 3 O 4 / c 1 - 2 - 3 - 1 3 - 3 1 - 2 6 ( 3 2 ) 2 3 ( 1 8 - 2 1 - 7 - 5 - 4 - 6 - 8 - 2 1 ) 2 9 - 2 7 ( 3 3 ) 2 8 ( 3 1 ) 1 1 - 1 4 - 3 0 ( 1 5 - 1 2 - 2 8 ) 2 0 - 2 2 - 9 - 1 0 - 2 4 - 2 5 ( 1 9 - 2 2 ) 3 5 - 1 7 - 1 6 - 3 4 - 2 4 / h 9 - 1 0 , 1 9 , 2 1 , 2 3 H , 2 - 8 , 1 1 - 1 8 , 2 0 H 2 , 1 H 3 , ( H , 2 9 , 3 3 ) / t 2 3 - / m 0 / s 1 |
| InChIKey |
V B O N N D P A C F T Z M X - Q H C P K H F H S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Antagonist | CCR5 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
