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Compound Detail

CHEMBL2171379

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COc1c2ccccc2c(OC)c2oc(C(=O)c3ccccc3)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2171379
Phase Preclinical
Structure Type MOL
InChI Key RQTLIOFLBJJGPP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
4.83
ALogP
4
HBA
0
HBD
48.7
PSA (Ų)
0.50
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 C21H16O4
MW 332.36
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness 0.12

Literature References

PubMed DOI Target Context # Activities
22845014 10.1021/jm3009597 HaCaT 2

Data from ChEMBL 36 via Core Engine