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Compound Detail

CHEMBL4853800

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O=C1c2ccccc2C(=O)c2c1[nH]c1cc(F)c(F)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4853800
Phase Preclinical
Structure Type MOL
InChI Key YDQOQKVQALAIFN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

283.2
MW (Da)
3.22
ALogP
2
HBA
1
HBD
49.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H7F2NO2
MW 283.23
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.12

Literature References

PubMed DOI Target Context # Activities
34303812 10.1016/j.bmcl.2021.128274 MDA-MB-231 1
34303812 10.1016/j.bmcl.2021.128274 MCF7 1
34303812 10.1016/j.bmcl.2021.128274 Unchecked 1

Data from ChEMBL 36 via Core Engine