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Compound Detail

CHEMBL4877363

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Cc1cc(-c2ccco2)cc(C)c1/C=C/c1cncc(C(N)=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4877363
Phase Preclinical
Structure Type MOL
InChI Key LPHYUWAIGWANQR-AATRIKPKSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
4.23
ALogP
3
HBA
1
HBD
69.1
PSA (Ų)
0.78
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 C20H18N2O2
MW 318.38
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.65

Activity Summary

IC50 3 meas. best 4.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.51 4.51 31000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 31000.0 nM 4.51 Inhibition of MurF (unknown origin) 33744441

Literature References

PubMed DOI Target Context # Activities
33744441 10.1016/j.bmcl.2021.127966 Unchecked 7
33744441 10.1016/j.bmcl.2021.127966 Staphylococcus aureus 1
33744441 10.1016/j.bmcl.2021.127966 Escherichia coli 1

Data from ChEMBL 36 via Core Engine