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

CHEMBL284473

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
C=CCN1CCc2cc(O)c(O)cc2[C@@H](c2ccccc2)C1

Basic Information

ChEMBL ID CHEMBL284473
Phase Preclinical
Structure Type MOL
InChI Key QBUVZVXIRYFENV-QGZVFWFLSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

295.4
MW (Da)
3.27
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H21NO2
MW 295.38
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.29

Activity Summary

IC50 2 meas. best 8.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(1A) dopamine receptor
CHEMBL265
IC50 8.09 8.09 8.1 1
D(2) dopamine receptor
CHEMBL339
IC50 5.85 5.85 1415.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1533424 10.1021/jm00086a016 D(1A) dopamine receptor 1
1533424 10.1021/jm00086a016 D(2) dopamine receptor 1
1533424 10.1021/jm00086a016 Dopamine receptors; D1 & D2 1

Data from ChEMBL 36 via Core Engine