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Compound Detail

CHEMBL5406156

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COc1ccc(-c2ccccc2-c2ccc(OC)cc2OC)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5406156
Phase Preclinical
Structure Type MOL
InChI Key JFSQUNYISQROTR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
5.06
ALogP
4
HBA
0
HBD
36.9
PSA (Ų)
0.62
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22O4
MW 350.41
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.07

Literature References

PubMed DOI Target Context # Activities
36520541 10.1021/acs.jmedchem.2c01368 Cytochrome P450 1B1 1
36520541 10.1021/acs.jmedchem.2c01368 Cytochrome P450 1A1 1
36520541 10.1021/acs.jmedchem.2c01368 Cytochrome P450 1
36520541 10.1021/acs.jmedchem.2c01368 Unchecked 1

Data from ChEMBL 36 via Core Engine