| Collection |
D4 : TTD |
| Chemical Name |
Des-AA1,2,5-[D-Trp8,IAmp9,Tyr11]Cbm-SRIF ( From PubChem : C H E M B L 4 1 4 7 1 7 ) |
| 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 |
| 1500.78 g/mol |
19 |
31 |
4.6031 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 7 4 H 9 7 N 1 5 O 1 5 S 2 / c 1 - 4 1 ( 2 ) 7 8 - 3 6 - 4 8 - 2 4 - 2 2 - 4 6 ( 2 3 - 2 5 - 4 8 ) 3 3 - 5 7 - 7 0 ( 1 0 0 ) 8 8 - 6 2 ( 4 2 ( 3 ) 9 1 ) 7 3 ( 1 0 3 ) 8 5 - 5 8 ( 3 4 - 4 7 - 2 6 - 2 8 - 5 0 ( 9 3 ) 2 9 - 2 7 - 4 7 ) 7 1 ( 1 0 1 ) 8 9 - 6 3 ( 4 3 ( 4 ) 9 2 ) 7 4 ( 1 0 4 ) 8 6 - 6 0 ( 3 8 - 9 0 ) 7 2 ( 1 0 2 ) 8 7 - 6 1 ( 6 4 ( 7 7 ) 9 4 ) 4 0 - 1 0 6 - 1 0 5 - 3 9 - 5 2 ( 7 6 ) 6 5 ( 9 5 ) 8 0 - 5 4 ( 2 1 - 1 3 - 1 4 - 3 0 - 7 5 ) 6 6 ( 9 6 ) 8 1 - 5 5 ( 3 1 - 4 4 - 1 5 - 7 - 5 - 8 - 1 6 - 4 4 ) 6 7 ( 9 7 ) 8 2 - 5 6 ( 3 2 - 4 5 - 1 7 - 9 - 6 - 1 0 - 1 8 - 4 5 ) 6 8 ( 9 8 ) 8 4 - 5 9 ( 6 9 ( 9 9 ) 8 3 - 5 7 ) 3 5 - 4 9 - 3 7 - 7 9 - 5 3 - 2 0 - 1 2 - 1 1 - 1 9 - 5 1 ( 4 9 ) 5 3 / h 5 - 1 2 , 1 5 - 2 0 , 2 2 - 2 9 , 3 7 , 4 1 - 4 3 , 5 2 , 5 4 - 6 3 , 7 8 - 7 9 , 9 0 - 9 3 H , 1 3 - 1 4 , 2 1 , 3 0 - 3 6 , 3 8 - 4 0 , 7 5 - 7 6 H 2 , 1 - 4 H 3 , ( H 2 , 7 7 , 9 4 ) ( H , 8 0 , 9 5 ) ( H , 8 1 , 9 6 ) ( H , 8 2 , 9 7 ) ( H , 8 3 , 9 9 ) ( H , 8 4 , 9 8 ) ( H , 8 5 , 1 0 3 ) ( H , 8 6 , 1 0 4 ) ( H , 8 7 , 1 0 2 ) ( H , 8 8 , 1 0 0 ) ( H , 8 9 , 1 0 1 ) / t 4 2 - , 4 3 - , 5 2 - , 5 4 - , 5 5 - , 5 6 + , 5 7 + , 5 8 + , 5 9 + , 6 0 + , 6 1 + , 6 2 ? , 6 3 ? / m 1 / s 1 |
| InChIKey |
C L Y X K N I F F V W Q G I - N C I C O F G I S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Inhibitor | SSTR1 | | | Clinical trial target |
|
| Download gene sets |
gmt, text, Detailed text
|
