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Compound Detail

CHEMBL284368

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CCCN1CCc2cccc3c2C1Cc1ccc(OC)c(O)c1-3

Basic Information

ChEMBL ID CHEMBL284368
Phase Preclinical
Structure Type MOL
InChI Key QXUACCGHDXHZPW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
3.93
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23NO2
MW 309.41
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.81

Activity Summary

IC50 1 meas. best 5.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dopamine receptor
CHEMBL2093868
IC50 5.33 5.33 4700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dopamine receptor IC50 = 4700.0 nM 5.33 Inhibition of [3H]spiroperidol binding to calf caudate membrane preparation (p4) 7310821

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