Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1940406

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Fc1ccc(OCCCN2CCC(c3ccc(Cl)cc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1940406
Phase Preclinical
Structure Type MOL
InChI Key OPXIAQIQFMLKDK-UHFFFAOYSA-N
7
Targets
10
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

347.9
MW (Da)
5.13
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.67
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23ClFNO
MW 347.86
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.45

Activity Summary

Ki 10 meas. best 8.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(4) dopamine receptor
CHEMBL3361
 Ki 8.02 8.02 9.5 2
D(2) dopamine receptor
CHEMBL217
 Ki 7.39 7.39 41.0 2
5-hydroxytryptamine receptor 2A
CHEMBL224
 Ki 6.92 6.92 121.0 1
D(1A) dopamine receptor
CHEMBL2056
 Ki 6.9 6.9 126.0 1
5-hydroxytryptamine receptor 1A
CHEMBL214
 Ki 6.77 6.77 169.0 1
D(3) dopamine receptor
CHEMBL234
 Ki 6.16 6.16 696.0 2
D(1B) dopamine receptor
CHEMBL1850
 Ki 6.06 6.06 867.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D(4) dopamine receptor Ki = 9.5 nM 8.02 Displacement of [3H]N-methylspiperone from rat dopamine D4 receptor by liquid sc... 22245230
D(4) dopamine receptor Ki = 9.5 nM 8.02 Displacement of [3H]N-methylspiperone from rat dopamine D4 receptor by PDSP assa... 24800940
D(2) dopamine receptor Ki = 41.0 nM 7.39 Displacement of [3H]N-methylspiperone from human dopamine D2 receptor by liquid ... 22245230
D(2) dopamine receptor Ki = 41.0 nM 7.39 Displacement of [3H]N-methylspiperone from human dopamine D2 receptor by PDSP as... 24800940
5-hydroxytryptamine receptor 2A Ki = 121.0 nM 6.92 Displacement of [3H]DOI from human 5HT2A receptor after 1 hr by liquid scintilla... 22245230
D(1A) dopamine receptor Ki = 126.0 nM 6.9 Displacement of [3H]SCH23390 from human dopamine D1 receptor by PDSP assay 24800940
5-hydroxytryptamine receptor 1A Ki = 169.0 nM 6.77 Displacement of [3H]8-OH-DPAT from human 5HT1A receptor by liquid scintillation ... 22245230
D(3) dopamine receptor Ki = 696.0 nM 6.16 Displacement of [3H]N-methylspiperone from human dopamine D3 receptor by liquid ... 22245230
D(3) dopamine receptor Ki = 696.0 nM 6.16 Displacement of [3H]N-methylspiperone from human dopamine D3 receptor by PDSP as... 24800940
D(1B) dopamine receptor Ki = 867.0 nM 6.06 Displacement of [3H]SCH23390 from human dopamine D5 receptor by PDSP assay 24800940

Literature References

PubMed DOI Target Context # Activities
24800940 10.1016/j.bmc.2014.04.026 Unchecked 2
22245230 10.1016/j.bmc.2011.12.019 D(2) dopamine receptor 1
22245230 10.1016/j.bmc.2011.12.019 D(3) dopamine receptor 1
22245230 10.1016/j.bmc.2011.12.019 D(4) dopamine receptor 1
22245230 10.1016/j.bmc.2011.12.019 5-hydroxytryptamine receptor 1A 1
22245230 10.1016/j.bmc.2011.12.019 5-hydroxytryptamine receptor 2A 1
22245230 10.1016/j.bmc.2011.12.019 5-hydroxytryptamine receptor 2C 1
24800940 10.1016/j.bmc.2014.04.026 D(1A) dopamine receptor 1
24800940 10.1016/j.bmc.2014.04.026 D(2) dopamine receptor 1
24800940 10.1016/j.bmc.2014.04.026 D(3) dopamine receptor 1
24800940 10.1016/j.bmc.2014.04.026 D(4) dopamine receptor 1
24800940 10.1016/j.bmc.2014.04.026 D(1B) dopamine receptor 1

Data from ChEMBL 36 via Core Engine