| Collection |
D4 : TTD |
| Chemical Name |
[Mpa1, L-Tic7]OT ( From PubChem : C H E M B L 4 1 5 4 1 8 ) |
| 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 |
| 1054.24 g/mol |
11 |
25 |
2.8813 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 8 H 6 7 N 1 1 O 1 2 S 2 / c 1 - 5 - 2 6 ( 4 ) 4 1 - 4 7 ( 7 0 ) 5 4 - 3 1 ( 1 4 - 1 5 - 3 7 ( 4 9 ) 6 1 ) 4 3 ( 6 6 ) 5 5 - 3 4 ( 2 1 - 3 8 ( 5 0 ) 6 2 ) 4 4 ( 6 7 ) 5 7 - 3 5 ( 2 4 - 7 3 - 7 2 - 1 7 - 1 6 - 4 0 ( 6 4 ) 5 3 - 3 3 ( 4 5 ( 6 8 ) 5 8 - 4 1 ) 1 9 - 2 7 - 1 0 - 1 2 - 3 0 ( 6 0 ) 1 3 - 1 1 - 2 7 ) 4 8 ( 7 1 ) 5 9 - 2 3 - 2 9 - 9 - 7 - 6 - 8 - 2 8 ( 2 9 ) 2 0 - 3 6 ( 5 9 ) 4 6 ( 6 9 ) 5 6 - 3 2 ( 1 8 - 2 5 ( 2 ) 3 ) 4 2 ( 6 5 ) 5 2 - 2 2 - 3 9 ( 5 1 ) 6 3 / h 6 - 1 3 , 2 5 - 2 6 , 3 1 - 3 6 , 4 1 , 6 0 H , 5 , 1 4 - 2 4 H 2 , 1 - 4 H 3 , ( H 2 , 4 9 , 6 1 ) ( H 2 , 5 0 , 6 2 ) ( H 2 , 5 1 , 6 3 ) ( H , 5 2 , 6 5 ) ( H , 5 3 , 6 4 ) ( H , 5 4 , 7 0 ) ( H , 5 5 , 6 6 ) ( H , 5 6 , 6 9 ) ( H , 5 7 , 6 7 ) ( H , 5 8 , 6 8 ) / t 2 6 - , 3 1 - , 3 2 - , 3 3 - , 3 4 - , 3 5 - , 3 6 - , 4 1 ? / m 0 / s 1 |
| InChIKey |
B E K G L O S G J V Q N H G - V P X N F Q M A 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
|
