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Compound Detail

CHEMBL4794202

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COc1ccc(C(=O)n2c3ccccc3c(=O)c3ccccc32)cc1OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4794202
Phase Preclinical
Structure Type MOL
InChI Key HNIVMTNHIHBCBW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

435.5
MW (Da)
5.43
ALogP
5
HBA
0
HBD
57.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H21NO4
MW 435.48
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -0.39

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