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Compound Detail

CHEMBL4637833

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CC(C)C(=O)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1

Basic Information

ChEMBL ID CHEMBL4637833
Phase Preclinical
Structure Type MOL
InChI Key XIHMEOMCSLUVDU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
5.24
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.56
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N2O2
MW 330.39
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.38

Activity Summary

EC50 1 meas. best 7.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Utrophin
CHEMBL4523230
EC50 7.42 7.42 38.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Utrophin EC50 = 38.0 nM 7.42 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
32551645 10.1021/acs.jmedchem.0c00807 No relevant target 1

Data from ChEMBL 36 via Core Engine