| Collection |
D4 : TTD |
| Chemical Name |
FR-175985 ( From PubChem : C H E M B L 4 9 0 8 5 ) |
| 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 |
| 567.653 g/mol |
2 |
8 |
5.0169 |
False(2/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 3 3 H 3 4 F N 5 O 3 / c 1 - 2 1 - 7 - 6 - 8 - 2 4 ( 1 7 - 2 1 ) 3 5 - 3 3 ( 4 2 ) 3 7 - 3 1 - 3 2 ( 4 1 ) 3 9 ( 2 0 - 2 9 ( 4 0 ) 3 8 - 1 8 - 2 2 - 1 3 - 1 4 - 2 3 ( 1 9 - 3 8 ) 1 6 - 1 5 - 2 2 ) 2 8 - 1 2 - 5 - 3 - 1 0 - 2 6 ( 2 8 ) 3 0 ( 3 6 - 3 1 ) 2 5 - 9 - 2 - 4 - 1 1 - 2 7 ( 2 5 ) 3 4 / h 2 - 1 2 , 1 7 , 2 2 - 2 3 , 3 1 H , 1 3 - 1 6 , 1 8 - 2 0 H 2 , 1 H 3 , ( H 2 , 3 5 , 3 7 , 4 2 ) / t 2 2 - , 2 3 + , 3 1 - / m 0 / s 1 |
| InChIKey |
G W K W F U N K Y X S Z Q P - L W P Q G V M L 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
|
