| Collection |
D4 : TTD |
| Chemical Name |
Des-AA1,2,4,5,11,12,13-[D-Trp8]SRIF ( From PubChem : C H E M B L 3 6 8 3 0 4 ) |
| 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 |
| 932.119 g/mol |
11 |
19 |
3.7947 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 4 5 H 5 7 N 9 O 9 S 2 / c 1 - 2 6 ( 5 5 ) 3 8 - 4 4 ( 6 1 ) 5 3 - 3 7 ( 4 5 ( 6 2 ) 6 3 ) 2 5 - 6 5 - 6 4 - 2 4 - 3 1 ( 4 7 ) 3 9 ( 5 6 ) 5 0 - 3 4 ( 2 0 - 2 7 - 1 2 - 4 - 2 - 5 - 1 3 - 2 7 ) 4 1 ( 5 8 ) 5 1 - 3 5 ( 2 1 - 2 8 - 1 4 - 6 - 3 - 7 - 1 5 - 2 8 ) 4 2 ( 5 9 ) 5 2 - 3 6 ( 2 2 - 2 9 - 2 3 - 4 8 - 3 2 - 1 7 - 9 - 8 - 1 6 - 3 0 ( 2 9 ) 3 2 ) 4 3 ( 6 0 ) 4 9 - 3 3 ( 4 0 ( 5 7 ) 5 4 - 3 8 ) 1 8 - 1 0 - 1 1 - 1 9 - 4 6 / h 2 - 9 , 1 2 - 1 7 , 2 3 , 2 6 , 3 1 , 3 3 - 3 8 , 4 8 , 5 5 H , 1 0 - 1 1 , 1 8 - 2 2 , 2 4 - 2 5 , 4 6 - 4 7 H 2 , 1 H 3 , ( H , 4 9 , 6 0 ) ( H , 5 0 , 5 6 ) ( H , 5 1 , 5 8 ) ( H , 5 2 , 5 9 ) ( H , 5 3 , 6 1 ) ( H , 5 4 , 5 7 ) ( H , 6 2 , 6 3 ) / t 2 6 - , 3 1 - , 3 3 + , 3 4 - , 3 5 + , 3 6 + , 3 7 + , 3 8 ? / m 1 / s 1 |
| InChIKey |
S E X J H X Q M Y W D Z H J - Y V Q P Z G B D S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | SSTR2 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
