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Compound Detail

CHEMBL288704

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CCN1CCC[C@H]1CNC(=O)c1cc(CCF)cc(OC)c1OC

Basic Information

ChEMBL ID CHEMBL288704
Phase Preclinical
Structure Type MOL
InChI Key ARAWZUUSXRTRLM-AWEZNQCLSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
2.43
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H27FN2O3
MW 338.42
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.76

Activity Summary

Ki 2 meas. best 8.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(2) dopamine receptor
CHEMBL339
Ki 8.85 8.565 1.4 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1827843 10.1021/jm00109a013 D(2) dopamine receptor 2

Data from ChEMBL 36 via Core Engine