General Information of the Compound
| Compound ID |
CP0217150
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
IDALOPIRDINE
Show/Hide
|
||||||||||||||||||
| Synonyms |
1H-Indole-3-ethanamine, 6-fluoro-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]-
1H-Indole-3-ethanamine,6-fluoro-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]-
2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine
467459-31-0
59WCJ0YNWM
C20H19F5N2O
CHEMBL3286580
EX-A844
GTPL8689
Idalopirdine
Idalopirdine (USAN/INN)
Idalopirdine [USAN:INN]
Idalopirdine(Lu-AE-58054)
Idlopirdine
LU AE 58054
LU AE58054
LU-AE58054
Lu AE58054
Lu AE58054;Idalopirdine
SCHEMBL762762
UNII-59WCJ0YNWM
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19F5N2O
|
||||||||||||||||||
| Molecular Weight |
398.375
|
||||||||||||||||||
| Canonical SMILES |
FC(F)C(F)(F)COc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19F5N2O/c21-15-4-5-17-14(11-27-18(17)9-15)6-7-26-10-13-2-1-3-16(8-13)28-12-20(24,25)19(22)23/h1-5,8-9,11,19,26-27H,6-7,10,12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
YBAWYTYNMZWMMJ-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
467459-31-0
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
| DrugBank ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor
Clinical Information about the Compound