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Compound Detail

CHEMBL4750110

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COc1ccc(C(=O)n2c3ccccc3c(=O)c3ccccc32)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4750110
Phase Preclinical
Structure Type MOL
InChI Key UXZCWBYSVPPQID-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
3.86
ALogP
5
HBA
0
HBD
57.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17NO4
MW 359.38
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.32

Literature References

PubMed DOI Target Context # Activities
33212157 10.1016/j.bmcl.2020.127687 K562 1
33212157 10.1016/j.bmcl.2020.127687 Unchecked 1

Data from ChEMBL 36 via Core Engine