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Compound Detail

CHEMBL284746

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Oc1cc2c(cc1O)[C@H](c1ccccc1)CNCC2

Basic Information

ChEMBL ID CHEMBL284746
Phase Preclinical
Structure Type MOL
InChI Key JUDKOGFHZYMDMF-AWEZNQCLSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

255.3
MW (Da)
2.38
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H17NO2
MW 255.32
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.88

Activity Summary

IC50 2 meas. best 4.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(1A) dopamine receptor
CHEMBL265
IC50 4.97 4.97 10700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D(1A) dopamine receptor IC50 = 10700.0 nM 4.97 Displacement of [3H]-SCH- 23390 (0.3 nM) from dopamine receptor D1 in crude memb... 1533424

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