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Compound Detail

CHEMBL4460083

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O=C(O)C1CCc2cc(O)c(O)cc2C=N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4460083
Phase Preclinical
Structure Type MOL
InChI Key QMIZDBDBELBUTF-UHFFFAOYSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

221.2
MW (Da)
0.92
ALogP
4
HBA
3
HBD
90.1
PSA (Ų)
0.61
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 C11H11NO4
MW 221.21
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 1.26

Activity Summary

IC50 4 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine