| Collection |
D4 : TTD |
| Chemical Name |
H-Tyr-D-Ala-Gly-Phe-Pro-Leu-Trp-NMe-3,5-Bzl(CF3)2 ( From PubChem : C H E M B L 4 0 6 0 3 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 |
| 1092.13 g/mol |
8 |
16 |
7.63 |
False(0/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 5 5 H 6 3 F 6 N 9 O 8 / c 1 - 3 1 ( 2 ) 2 1 - 4 3 ( 5 0 ( 7 5 ) 6 8 - 4 5 ( 2 6 - 3 6 - 2 8 - 6 3 - 4 2 - 1 4 - 9 - 8 - 1 3 - 4 0 ( 3 6 ) 4 2 ) 5 2 ( 7 7 ) 6 9 ( 4 ) 3 0 - 3 5 - 2 2 - 3 7 ( 5 4 ( 5 6 , 5 7 ) 5 8 ) 2 7 - 3 8 ( 2 3 - 3 5 ) 5 5 ( 5 9 , 6 0 ) 6 1 ) 6 7 - 5 1 ( 7 6 ) 4 6 - 1 5 - 1 0 - 2 0 - 7 0 ( 4 6 ) 5 3 ( 7 8 ) 4 4 ( 2 5 - 3 3 - 1 1 - 6 - 5 - 7 - 1 2 - 3 3 ) 6 6 - 4 7 ( 7 2 ) 2 9 - 6 4 - 4 8 ( 7 3 ) 3 2 ( 3 ) 6 5 - 4 9 ( 7 4 ) 4 1 ( 6 2 ) 2 4 - 3 4 - 1 6 - 1 8 - 3 9 ( 7 1 ) 1 9 - 1 7 - 3 4 / h 5 - 9 , 1 1 - 1 4 , 1 6 - 1 9 , 2 2 - 2 3 , 2 7 - 2 8 , 3 1 - 3 2 , 4 1 , 4 3 - 4 6 , 6 3 , 7 1 H , 1 0 , 1 5 , 2 0 - 2 1 , 2 4 - 2 6 , 2 9 - 3 0 , 6 2 H 2 , 1 - 4 H 3 , ( H , 6 4 , 7 3 ) ( H , 6 5 , 7 4 ) ( H , 6 6 , 7 2 ) ( H , 6 7 , 7 6 ) ( H , 6 8 , 7 5 ) / t 3 2 - , 4 1 + , 4 3 + , 4 4 + , 4 5 + , 4 6 + / m 1 / s 1 |
| InChIKey |
I R I F E S W S R Q B R P W - C K W X O E D F S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | TACR1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
