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Compound Detail

CHEMBL304910

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COc1ccc2c(c1)c1c(C)c3cnccc3c(C)c1n2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL304910
Phase Preclinical
Structure Type MOL
InChI Key IHAQVTYZXHXYAL-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

290.4
MW (Da)
4.51
ALogP
3
HBA
0
HBD
27.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N2O
MW 290.37
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -0.06

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
3172128 10.1021/jm00118a014 Mus musculus 5
3172128 10.1021/jm00118a014 Nucleic Acid 2
21831641 10.1016/j.bmc.2011.07.020 Escherichia coli 2
21831641 10.1016/j.bmc.2011.07.020 Staphylococcus aureus 2
3172128 10.1021/jm00118a014 L1210 1
3172128 10.1021/jm00118a014 NIH3T3 1
21831641 10.1016/j.bmc.2011.07.020 Unchecked 1

Data from ChEMBL 36 via Core Engine