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Compound Detail

CHEMBL4557950

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O=C(O)C1(O)Cc2cc(O)c(O)cc2C=N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4557950
Phase Preclinical
Structure Type MOL
InChI Key QBRBAHYWXXLKES-UHFFFAOYSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

223.2
MW (Da)
-0.15
ALogP
5
HBA
4
HBD
110.3
PSA (Ų)
0.49
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 C10H9NO5
MW 223.18
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 1.35

Activity Summary

IC50 4 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 MCF10 1
27624521 10.1016/j.bmc.2016.08.054 BALB/3T3 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

Data from ChEMBL 36 via Core Engine