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Compound Detail

CHEMBL219389

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CCc1cccc(NC(=O)CN2CCC(c3cccc[n+]3[O-])CC2)c1

Basic Information

ChEMBL ID CHEMBL219389
Phase Preclinical
Structure Type MOL
InChI Key OZDLVPUROGGHOL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
2.70
ALogP
3
HBA
1
HBD
59.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25N3O2
MW 339.44
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.59

Activity Summary

EC50 1 meas. best 7.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(4) dopamine receptor
CHEMBL219
EC50 7.02 7.02 95.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17149874 10.1021/jm060662k D(4) dopamine receptor 2

Data from ChEMBL 36 via Core Engine