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

CHEMBL35556

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)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3

Basic Information

ChEMBL ID CHEMBL35556
Phase Preclinical
Structure Type MOL
InChI Key FUWKHEBRKKMBDP-OAHLLOKOSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
3.11
ALogP
4
HBA
3
HBD
63.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19NO3
MW 309.37
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 1.40

Activity Summary

IC50 2 meas. best 7.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dopamine receptor
CHEMBL2093868
IC50 7.62 6.88 24.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7310821 10.1021/jm00144a014 Dopamine receptor 2
7310821 10.1021/jm00144a014 Adenylate cyclase 1

Data from ChEMBL 36 via Core Engine