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Compound Detail

CHEMBL67923

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CCCN(Cc1ccc(OC)cc1)[C@@H]1CCc2c(cccc2OC)C1

Basic Information

ChEMBL ID CHEMBL67923
Phase Preclinical
Structure Type MOL
InChI Key JAUQVGAQEBWHPG-LJQANCHMSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

339.5
MW (Da)
4.47
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29NO2
MW 339.48
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.74

Activity Summary

Ki 2 meas. best 7.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(2) dopamine receptor
CHEMBL217
Ki 7.66 7.425 22.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10465538 10.1016/s0960-894x(99)00345-5 D(2) dopamine receptor 10

Data from ChEMBL 36 via Core Engine