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Compound Detail

CHEMBL4875957

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Cc1cc(-c2ccco2)cc(C)c1/C=C/c1cncc(C2=NCCN2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4875957
Phase Preclinical
Structure Type MOL
InChI Key HZKZAJOMRLAJOU-AATRIKPKSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
4.48
ALogP
4
HBA
1
HBD
50.4
PSA (Ų)
0.76
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 C22H21N3O
MW 343.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.56

Activity Summary

IC50 3 meas.

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