| Collection |
D4 : TTD |
| Chemical Name |
CR-1795 ( From PubChem : C H E M B L 1 6 9 4 6 6 ) |
| 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 |
| 454.602 g/mol |
2 |
6 |
5.793 |
False(3/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 2 7 H 3 8 N 2 O 4 / c 1 - 3 - 5 - 9 - 1 8 - 2 9 ( 1 9 - 1 0 - 6 - 4 - 2 ) 2 7 ( 3 3 ) 2 4 ( 1 4 - 1 1 - 1 5 - 2 5 ( 3 0 ) 3 1 ) 2 8 - 2 6 ( 3 2 ) 2 3 - 1 7 - 1 6 - 2 1 - 1 2 - 7 - 8 - 1 3 - 2 2 ( 2 1 ) 2 0 - 2 3 / h 7 - 8 , 1 2 - 1 3 , 1 6 - 1 7 , 2 0 , 2 4 H , 3 - 6 , 9 - 1 1 , 1 4 - 1 5 , 1 8 - 1 9 H 2 , 1 - 2 H 3 , ( H , 2 8 , 3 2 ) ( H , 3 0 , 3 1 ) / t 2 4 - / m 1 / s 1 |
| InChIKey |
V H C O M P F C Z P O Z F X - X M M P I X P A 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
|
