| Collection |
D4 : TTD |
| Chemical Name |
cyclo(1,12)PenIYDTKGKNVLC-OH ( From PubChem : C Y C L O ( 1 , 1 2 ) P E N I Y D T K G K N V L C - O H ) |
| 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 |
| 1382.65 g/mol |
19 |
35 |
2.6395 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 6 0 H 9 9 N 1 5 O 1 8 S 2 / c 1 - 1 0 - 3 1 ( 6 ) 4 6 - 5 6 ( 8 9 ) 7 1 - 3 8 ( 2 4 - 3 3 - 1 7 - 1 9 - 3 4 ( 7 7 ) 2 0 - 1 8 - 3 3 ) 5 2 ( 8 5 ) 6 9 - 4 0 ( 2 6 - 4 4 ( 8 0 ) 8 1 ) 5 4 ( 8 7 ) 7 5 - 4 7 ( 3 2 ( 7 ) 7 6 ) 5 7 ( 9 0 ) 6 7 - 3 5 ( 1 5 - 1 1 - 1 3 - 2 1 - 6 1 ) 4 9 ( 8 2 ) 6 5 - 2 7 - 4 3 ( 7 9 ) 6 6 - 3 6 ( 1 6 - 1 2 - 1 4 - 2 2 - 6 2 ) 5 0 ( 8 3 ) 6 8 - 3 9 ( 2 5 - 4 2 ( 6 3 ) 7 8 ) 5 3 ( 8 6 ) 7 3 - 4 5 ( 3 0 ( 4 ) 5 ) 5 5 ( 8 8 ) 7 0 - 3 7 ( 2 3 - 2 9 ( 2 ) 3 ) 5 1 ( 8 4 ) 7 2 - 4 1 ( 5 9 ( 9 2 ) 9 3 ) 2 8 - 9 4 - 9 5 - 6 0 ( 8 , 9 ) 4 8 ( 6 4 ) 5 8 ( 9 1 ) 7 4 - 4 6 / h 1 7 - 2 0 , 2 9 - 3 2 , 3 5 - 4 1 , 4 5 - 4 8 , 7 6 - 7 7 H , 1 0 - 1 6 , 2 1 - 2 8 , 6 1 - 6 2 , 6 4 H 2 , 1 - 9 H 3 , ( H 2 , 6 3 , 7 8 ) ( H , 6 5 , 8 2 ) ( H , 6 6 , 7 9 ) ( H , 6 7 , 9 0 ) ( H , 6 8 , 8 3 ) ( H , 6 9 , 8 5 ) ( H , 7 0 , 8 8 ) ( H , 7 1 , 8 9 ) ( H , 7 2 , 8 4 ) ( H , 7 3 , 8 6 ) ( H , 7 4 , 9 1 ) ( H , 7 5 , 8 7 ) ( H , 8 0 , 8 1 ) ( H , 9 2 , 9 3 ) / t 3 1 - , 3 2 + , 3 5 - , 3 6 - , 3 7 + , 3 8 + , 3 9 + , 4 0 - , 4 1 + , 4 5 - , 4 6 ? , 4 7 ? , 4 8 ? / m 0 / s 1 |
| InChIKey |
P A D T Z Y Y Z H Q S V H Y - R F P H P Q L W 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
|
