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Compound Detail

CHEMBL4576374

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O=C(O)C1Cc2c(O)c(O)cc(Br)c2C=N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4576374
Phase Preclinical
Structure Type MOL
InChI Key KTTNUWQWCNPDNQ-UHFFFAOYSA-N
0
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

286.1
MW (Da)
1.29
ALogP
4
HBA
3
HBD
90.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H8BrNO4
MW 286.08
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 1.36

Activity Summary

IC50 7 meas.

Literature References

PubMed DOI Target Context # Activities
27624521 10.1016/j.bmc.2016.08.054 MCF7 1
27624521 10.1016/j.bmc.2016.08.054 Cytosol aminopeptidase 1
27624521 10.1016/j.bmc.2016.08.054 HL60/MX2 1
27624521 10.1016/j.bmc.2016.08.054 HL-60 1
27624521 10.1016/j.bmc.2016.08.054 MCF10 1
27624521 10.1016/j.bmc.2016.08.054 BALB/3T3 1
27624521 10.1016/j.bmc.2016.08.054 Unchecked 1

Data from ChEMBL 36 via Core Engine