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Compound Detail

CHEMBL57241

FLUTROLINE
🧪 Phase II
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🧪 Phase II
OC(CCCN1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL57241
Name FLUTROLINE
Phase Phase II
Structure Type MOL
InChI Key OYGDOCFZQVGFIP-UHFFFAOYSA-N

Known Names

CP-36,584 CP-36584 Flutrolina Flutroline
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
4
Known Names

Molecular Properties

450.5
MW (Da)
5.92
ALogP
3
HBA
1
HBD
28.4
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic
USAN Stem -troline
USAN Year 1980

Extended Properties

Molecular Formula C27H25F3N2O
MW 450.50
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.83

Activity Summary

IC50 4 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dopamine receptor
CHEMBL2093868
 IC50 7.92 7.8733 12.0 3
Rattus norvegicus
CHEMBL376
 IC50 7.85 7.85 14.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dopamine receptor IC50 = 12.0 nM 7.92 Inhibition of [3H]spiroperidol (0.5 nM) binding to dopamine receptor from rat st... 3941416
Dopamine receptor IC50 = 14.0 nM 7.85 Displacement of [3H]spiroperidol from dopamine receptor of rat corpus striatum h... 6104732
Dopamine receptor IC50 = 14.0 nM 7.85 Affinity for Dopamine receptors in the rat striatum using [3H]spiroperidol displ... 2876102
Rattus norvegicus IC50 = 14.0 nM 7.85 Inhibition of [3H]spiroperidol binding to rat striatal membrane using 0.5 nM lig... 6105220

Literature References

PubMed DOI Target Context # Activities
6105220 10.1021/jm00182a025 Rattus norvegicus 4
- 10.6019/CHEMBL4651402 SARS-CoV-2 4
3941416 10.1021/jm00151a002 Rattus norvegicus 3
6104732 10.1021/jm00180a011 Rattus norvegicus 3
2876102 10.1021/jm00160a050 Rattus norvegicus 3
- 10.6019/CHEMBL4651402 Vero C1008 2
3941416 10.1021/jm00151a002 Dopamine receptor 1
6104732 10.1021/jm00180a011 Dopamine receptor 1
2876102 10.1021/jm00160a050 Dopamine receptor 1

Data from ChEMBL 36 via Core Engine