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Compound Detail

CHEMBL4637665

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CCP(=O)(OC)c1ccc2nc(-c3cccc(F)c3)oc2c1

Basic Information

ChEMBL ID CHEMBL4637665
Phase Preclinical
Structure Type MOL
InChI Key BRZSEQJGHCHDLC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

319.3
MW (Da)
4.20
ALogP
4
HBA
0
HBD
52.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15FNO3P
MW 319.27
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.32

Activity Summary

EC50 1 meas. best 5.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Utrophin
CHEMBL4523230
EC50 5.65 5.65 2250.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Utrophin EC50 = 2250.0 nM 5.65 Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulat... 32551645

Literature References

PubMed DOI Target Context # Activities
32551645 10.1021/acs.jmedchem.0c00807 Utrophin 1

Data from ChEMBL 36 via Core Engine