| Collection |
D4 : TTD |
| Chemical Name |
[Pip7]OT ( From PubChem : C H E M B L 3 9 5 2 9 0 ) |
| 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 |
| 1021.21 g/mol |
12 |
26 |
1.9464 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 4 H 6 8 N 1 2 O 1 2 S 2 / c 1 - 5 - 2 3 ( 4 ) 3 6 - 4 3 ( 6 7 ) 5 0 - 2 7 ( 1 3 - 1 4 - 3 3 ( 4 6 ) 5 8 ) 3 9 ( 6 3 ) 5 2 - 3 0 ( 1 8 - 3 4 ( 4 7 ) 5 9 ) 4 0 ( 6 4 ) 5 4 - 3 1 ( 2 1 - 7 0 - 6 9 - 2 0 - 2 6 ( 4 5 ) 3 7 ( 6 1 ) 5 1 - 2 9 ( 4 1 ( 6 5 ) 5 5 - 3 6 ) 1 7 - 2 4 - 9 - 1 1 - 2 5 ( 5 7 ) 1 2 - 1 0 - 2 4 ) 4 4 ( 6 8 ) 5 6 - 1 5 - 7 - 6 - 8 - 3 2 ( 5 6 ) 4 2 ( 6 6 ) 5 3 - 2 8 ( 1 6 - 2 2 ( 2 ) 3 ) 3 8 ( 6 2 ) 4 9 - 1 9 - 3 5 ( 4 8 ) 6 0 / h 9 - 1 2 , 2 2 - 2 3 , 2 6 - 3 2 , 3 6 , 5 7 H , 5 - 8 , 1 3 - 2 1 , 4 5 H 2 , 1 - 4 H 3 , ( H 2 , 4 6 , 5 8 ) ( H 2 , 4 7 , 5 9 ) ( H 2 , 4 8 , 6 0 ) ( H , 4 9 , 6 2 ) ( H , 5 0 , 6 7 ) ( H , 5 1 , 6 1 ) ( H , 5 2 , 6 3 ) ( H , 5 3 , 6 6 ) ( H , 5 4 , 6 4 ) ( H , 5 5 , 6 5 ) / t 2 3 - , 2 6 - , 2 7 - , 2 8 - , 2 9 - , 3 0 - , 3 1 - , 3 2 - , 3 6 ? / m 0 / s 1 |
| InChIKey |
A E G M Q T A G V U R K H K - K S H L Y W J D S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | OXTR | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
