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Compound Detail

CHEMBL4473232

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OCc1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1F

Basic Information

ChEMBL ID CHEMBL4473232
Phase Preclinical
Structure Type MOL
InChI Key QZBWMCZLJVVPTO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

352.8
MW (Da)
4.95
ALogP
3
HBA
1
HBD
37.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14ClFN2O
MW 352.80
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.38

Activity Summary

EC50 1 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nuclear receptor subfamily 4 group A member 2
CHEMBL5002
EC50 7.85 7.85 14.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30773432 10.1016/j.bmcl.2019.01.024 ADMET 1
30773432 10.1016/j.bmcl.2019.01.024 Nuclear receptor subfamily 4 group A member 2 1

Data from ChEMBL 36 via Core Engine