| Collection |
D4 : TTD |
| Chemical Name |
CI-1021 ( From PubChem : M E T H Y L - G A G P A M O A T E ) |
| 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 |
| 572.572 g/mol |
8 |
14 |
5.0875 |
False(0/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 3 H 1 6 O 6 . C 5 H 1 2 N 8 / c 2 4 - 2 0 - 1 6 ( 1 4 - 7 - 3 - 1 - 5 - 1 2 ( 1 4 ) 9 - 1 8 ( 2 0 ) 2 2 ( 2 6 ) 2 7 ) 1 1 - 1 7 - 1 5 - 8 - 4 - 2 - 6 - 1 3 ( 1 5 ) 1 0 - 1 9 ( 2 1 ( 1 7 ) 2 5 ) 2 3 ( 2 8 ) 2 9 ; 1 - 3 ( 1 1 - 1 3 - 5 ( 8 ) 9 ) 2 - 1 0 - 1 2 - 4 ( 6 ) 7 / h 1 - 1 0 , 2 4 - 2 5 H , 1 1 H 2 , ( H , 2 6 , 2 7 ) ( H , 2 8 , 2 9 ) ; 2 H , 1 H 3 , ( H 4 , 6 , 7 , 1 2 ) ( H 4 , 8 , 9 , 1 3 ) / b ; 1 0 - 2 + , 1 1 - 3 + |
| InChIKey |
S P V O I L U I O Y Z R L D - C W P R P S L W S A - N
|
| Links |
|
Gene
(1 /
1)
⊖ Less
|
| Source | Type | Unit | Value | Gene | PMID | Assay | Other | | TTD | Antagonist | TACR1 | | | Successful target |
|
| Download gene sets |
gmt, text, Detailed text
|
