| Collection |
D4 : TTD |
| Chemical Name |
cyclo(1,11)H-ESIYDPGDDIK-OH ( From PubChem : C H E M B L 5 2 5 5 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 |
| 1233.28 g/mol |
17 |
33 |
-1.1527 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 5 4 H 8 0 N 1 2 O 2 1 / c 1 - 5 - 2 6 ( 3 ) 4 3 - 5 1 ( 8 3 ) 5 9 - 3 1 ( 5 4 ( 8 6 ) 8 7 ) 1 0 - 7 - 8 - 1 8 - 5 6 - 3 8 ( 6 9 ) 1 7 - 1 6 - 3 0 ( 5 5 ) 4 5 ( 7 7 ) 6 3 - 3 6 ( 2 5 - 6 7 ) 4 9 ( 8 1 ) 6 5 - 4 4 ( 2 7 ( 4 ) 6 - 2 ) 5 2 ( 8 4 ) 6 1 - 3 2 ( 2 0 - 2 8 - 1 2 - 1 4 - 2 9 ( 6 8 ) 1 5 - 1 3 - 2 8 ) 4 6 ( 7 8 ) 6 2 - 3 5 ( 2 3 - 4 2 ( 7 5 ) 7 6 ) 5 3 ( 8 5 ) 6 6 - 1 9 - 9 - 1 1 - 3 7 ( 6 6 ) 5 0 ( 8 2 ) 5 7 - 2 4 - 3 9 ( 7 0 ) 5 8 - 3 3 ( 2 1 - 4 0 ( 7 1 ) 7 2 ) 4 7 ( 7 9 ) 6 0 - 3 4 ( 2 2 - 4 1 ( 7 3 ) 7 4 ) 4 8 ( 8 0 ) 6 4 - 4 3 / h 1 2 - 1 5 , 2 6 - 2 7 , 3 0 - 3 7 , 4 3 - 4 4 , 6 7 - 6 8 H , 5 - 1 1 , 1 6 - 2 5 , 5 5 H 2 , 1 - 4 H 3 , ( H , 5 6 , 6 9 ) ( H , 5 7 , 8 2 ) ( H , 5 8 , 7 0 ) ( H , 5 9 , 8 3 ) ( H , 6 0 , 7 9 ) ( H , 6 1 , 8 4 ) ( H , 6 2 , 7 8 ) ( H , 6 3 , 7 7 ) ( H , 6 4 , 8 0 ) ( H , 6 5 , 8 1 ) ( H , 7 1 , 7 2 ) ( H , 7 3 , 7 4 ) ( H , 7 5 , 7 6 ) ( H , 8 6 , 8 7 ) / t 2 6 - , 2 7 - , 3 0 - , 3 1 - , 3 2 - , 3 3 - , 3 4 - , 3 5 - , 3 6 - , 3 7 ? , 4 3 ? , 4 4 ? / m 0 / s 1 |
| InChIKey |
Q V R G I L A Z Q G Y C S V - L V L N H Z F C S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | CD2 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
