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Compound Detail

CHEMBL4060584

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CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(CO)c3)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4060584
Phase Preclinical
Structure Type MOL
InChI Key ZVMHYBSNCXNQPI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
4.76
ALogP
3
HBA
2
HBD
62.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18FNO3
MW 375.40
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.30

Literature References

PubMed DOI Target Context # Activities
28430437 10.1021/acs.jmedchem.7b00328 Unchecked 1

Data from ChEMBL 36 via Core Engine