| Collection |
D4 : TTD |
| Chemical Name |
c(his-L-phe-arg-trp-Aoc) ( From PubChem : C H E M B L 2 1 1 1 3 1 ) |
| 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 |
| 767.919 g/mol |
9 |
14 |
4.4267 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 0 H 5 3 N 1 1 O 5 / c 4 1 - 4 0 ( 4 2 ) 4 5 - 1 9 - 1 1 - 1 6 - 3 1 - 3 7 ( 5 4 ) 5 1 - 3 3 ( 2 1 - 2 7 - 2 3 - 4 6 - 3 0 - 1 5 - 9 - 8 - 1 4 - 2 9 ( 2 7 ) 3 0 ) 3 6 ( 5 3 ) 4 4 - 1 8 - 1 0 - 3 - 1 - 2 - 7 - 1 7 - 3 5 ( 5 2 ) 4 8 - 3 4 ( 2 2 - 2 8 - 2 4 - 4 3 - 2 5 - 4 7 - 2 8 ) 3 9 ( 5 6 ) 5 0 - 3 2 ( 3 8 ( 5 5 ) 4 9 - 3 1 ) 2 0 - 2 6 - 1 2 - 5 - 4 - 6 - 1 3 - 2 6 / h 4 - 6 , 8 - 9 , 1 2 - 1 5 , 2 3 - 2 5 , 3 1 - 3 4 , 4 6 H , 1 - 3 , 7 , 1 0 - 1 1 , 1 6 - 2 2 H 2 , ( H , 4 3 , 4 7 ) ( H , 4 4 , 5 3 ) ( H , 4 8 , 5 2 ) ( H , 4 9 , 5 5 ) ( H , 5 0 , 5 6 ) ( H , 5 1 , 5 4 ) ( H 4 , 4 1 , 4 2 , 4 5 ) / t 3 1 - , 3 2 - , 3 3 - , 3 4 + / m 0 / s 1 |
| InChIKey |
K Y H I L A B V V Z O D Q F - G Z X H T M M I S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | MC4R | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
