| Collection |
D4 : TTD |
| Chemical Name |
Vasopressin Analogue ( From PubChem : V A S O P R E S S I N A N A L O G U E ) |
| 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 |
| 1357.28 g/mol |
15 |
28 |
3.6848 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 6 0 H 7 8 I N 1 7 O 1 2 / c 6 1 - 3 8 - 2 8 - 3 5 ( 1 9 - 2 3 - 4 7 ( 3 8 ) 7 9 ) 3 1 - 4 3 ( 5 1 ( 6 5 ) 8 3 ) 7 5 - 5 3 ( 8 5 ) 4 0 ( 1 4 - 7 - 2 5 - 7 0 - 5 9 ( 6 6 ) 6 7 ) 7 3 - 5 7 ( 8 9 ) 4 6 - 1 6 - 9 - 2 7 - 7 8 ( 4 6 ) 5 8 ( 9 0 ) 4 2 ( 1 5 - 8 - 2 6 - 7 1 - 6 0 ( 6 8 ) 6 9 ) 7 4 - 5 6 ( 8 8 ) 4 5 ( 3 2 - 4 9 ( 6 4 ) 8 1 ) 7 7 - 5 4 ( 8 6 ) 4 1 ( 2 2 - 2 4 - 4 8 ( 6 3 ) 8 0 ) 7 2 - 5 5 ( 8 7 ) 4 4 ( 3 0 - 3 3 - 1 0 - 3 - 1 - 4 - 1 1 - 3 3 ) 7 6 - 5 2 ( 8 4 ) 3 9 ( 6 2 ) 2 9 - 3 4 - 1 7 - 2 0 - 3 7 ( 2 1 - 1 8 - 3 4 ) 5 0 ( 8 2 ) 3 6 - 1 2 - 5 - 2 - 6 - 1 3 - 3 6 / h 1 - 6 , 1 0 - 1 3 , 1 7 - 2 1 , 2 3 , 2 8 , 3 9 - 4 6 , 7 9 H , 7 - 9 , 1 4 - 1 6 , 2 2 , 2 4 - 2 7 , 2 9 - 3 2 , 6 2 H 2 , ( H 2 , 6 3 , 8 0 ) ( H 2 , 6 4 , 8 1 ) ( H 2 , 6 5 , 8 3 ) ( H , 7 2 , 8 7 ) ( H , 7 3 , 8 9 ) ( H , 7 4 , 8 8 ) ( H , 7 5 , 8 5 ) ( H , 7 6 , 8 4 ) ( H , 7 7 , 8 6 ) ( H 4 , 6 6 , 6 7 , 7 0 ) ( H 4 , 6 8 , 6 9 , 7 1 ) / p + 1 / t 3 9 - , 4 0 - , 4 1 - , 4 2 - , 4 3 - , 4 4 - , 4 5 - , 4 6 + / m 0 / s 1 |
| InChIKey |
D T I W V O W N E C U Z B T - B W N O D L H Q S A - O
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | AVPR1A | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
