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Compound Detail

CHEMBL185263

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Cc1cccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)c1

Basic Information

ChEMBL ID CHEMBL185263
Phase Preclinical
Structure Type MOL
InChI Key ZFHFDLWCYZLOQK-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
2.89
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.94
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 C19H22FN3O
MW 327.40
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -2.46

Activity Summary

Ki 2 meas. best 7.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(4) dopamine receptor
CHEMBL219
Ki 7.21 7.125 61.9 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15380206 10.1016/j.bmcl.2004.07.068 D(4) dopamine receptor 3

Data from ChEMBL 36 via Core Engine