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Compound Detail

CHEMBL74970

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CCN1CCCC1CNC(=O)c1cc(Br)c(OC)cc1OC

Basic Information

ChEMBL ID CHEMBL74970
Phase Preclinical
Structure Type MOL
InChI Key YDOSDFAGGFOMLV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

371.3
MW (Da)
2.68
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H23BrN2O3
MW 371.28
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.94

Activity Summary

IC50 1 meas. best 7.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(2) dopamine receptor
CHEMBL339
IC50 7.36 7.36 44.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1973734 10.1021/jm00170a040 Rattus norvegicus 2
1973734 10.1021/jm00170a040 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine