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Compound Detail

CHEMBL4280299

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CC(=O)/C=C/c1cnc(C)c(O)c1CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4280299
Phase Preclinical
Structure Type MOL
InChI Key DXIFICKZJVSZGH-ONEGZZNKSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

207.2
MW (Da)
1.19
ALogP
4
HBA
2
HBD
70.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13NO3
MW 207.23
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.73

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
30429098 10.1016/j.bmc.2018.10.031 HEK293 1
30429098 10.1016/j.bmc.2018.10.031 MCF7 1

Data from ChEMBL 36 via Core Engine