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Compound Detail

CHEMBL4060533

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O=C1C=CC[C@@H](/C=C/c2ccc(F)cc2)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4060533
Phase Preclinical
Structure Type MOL
InChI Key NDEKIBDLMYKCQU-LZGFCCKTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

218.2
MW (Da)
2.71
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11FO2
MW 218.23
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 1.67

Literature References

PubMed DOI Target Context # Activities
28214230 10.1016/j.bmc.2017.02.004 Unchecked 6
28214230 10.1016/j.bmc.2017.02.004 A549 1
28214230 10.1016/j.bmc.2017.02.004 MCF7 1
28214230 10.1016/j.bmc.2017.02.004 HBL-100 1
28214230 10.1016/j.bmc.2017.02.004 Saccharomyces cerevisiae 1

Data from ChEMBL 36 via Core Engine