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Compound Detail

CHEMBL4636645

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CCP(=O)(OC)c1ccc2oc(-c3c(F)ccc(Cl)c3F)nc2c1

Basic Information

ChEMBL ID CHEMBL4636645
Phase Preclinical
Structure Type MOL
InChI Key ZMFJQRFOJVJVSO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

371.7
MW (Da)
5.00
ALogP
4
HBA
0
HBD
52.3
PSA (Ų)
0.48
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 C16H13ClF2NO3P
MW 371.71
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.25

Activity Summary

EC50 1 meas. best 5.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Utrophin
CHEMBL4523230
EC50 5.75 5.75 1770.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Utrophin EC50 = 1770.0 nM 5.75 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