| Collection |
D4 : TTD |
| Chemical Name |
Asp-Tyr(SO3Na)-Met-Gly-Trp-Met-Asp-Phe-NH2 ( From PubChem : C H E M B L 2 1 6 5 7 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 |
| 1087.16 g/mol |
15 |
27 |
2.2417 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 5 H 5 4 N 1 0 O 1 6 S 3 / c 4 6 - 2 8 ( 1 7 - 3 7 ( 5 7 ) 5 8 ) 4 0 ( 6 2 ) 5 2 - 3 1 ( 1 5 - 2 4 - 1 0 - 1 2 - 2 6 ( 1 3 - 1 1 - 2 4 ) 7 1 - 7 4 ( 6 8 , 6 9 ) 7 0 ) 4 2 ( 6 4 ) 5 4 - 3 4 ( 2 1 - 7 2 ) 4 1 ( 6 3 ) 4 9 - 2 0 - 3 6 ( 5 6 ) 5 0 - 3 2 ( 1 6 - 2 5 - 1 9 - 4 8 - 2 9 - 9 - 5 - 4 - 8 - 2 7 ( 2 5 ) 2 9 ) 4 3 ( 6 5 ) 5 5 - 3 5 ( 2 2 - 7 3 ) 4 5 ( 6 7 ) 5 3 - 3 3 ( 1 8 - 3 8 ( 5 9 ) 6 0 ) 4 4 ( 6 6 ) 5 1 - 3 0 ( 3 9 ( 4 7 ) 6 1 ) 1 4 - 2 3 - 6 - 2 - 1 - 3 - 7 - 2 3 / h 1 - 1 3 , 1 9 , 2 8 , 3 0 - 3 5 , 4 8 , 7 2 - 7 3 H , 1 4 - 1 8 , 2 0 - 2 2 , 4 6 H 2 , ( H 2 , 4 7 , 6 1 ) ( H , 4 9 , 6 3 ) ( H , 5 0 , 5 6 ) ( H , 5 1 , 6 6 ) ( H , 5 2 , 6 2 ) ( H , 5 3 , 6 7 ) ( H , 5 4 , 6 4 ) ( H , 5 5 , 6 5 ) ( H , 5 7 , 5 8 ) ( H , 5 9 , 6 0 ) ( H , 6 8 , 6 9 , 7 0 ) / t 2 8 - , 3 0 - , 3 1 - , 3 2 - , 3 3 - , 3 4 - , 3 5 - / m 0 / s 1 |
| InChIKey |
U O J B N R U F X O X R B L - N B W D C H G V S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | CCKAR | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
