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Compound Detail

CHEMBL373964

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O=C(CN1CCC(c2cccc[n+]2[O-])CC1)Nc1ccc(F)cc1F

Basic Information

ChEMBL ID CHEMBL373964
Phase Preclinical
Structure Type MOL
InChI Key AZWFLBHOULILFW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
2.42
ALogP
3
HBA
1
HBD
59.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19F2N3O2
MW 347.37
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.99

Activity Summary

EC50 1 meas. best 6.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(4) dopamine receptor
CHEMBL219
EC50 6.99 6.99 103.0 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