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Compound Detail

CHEMBL3335733

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CC(C)c1ccc(-c2oc3ccccc3c(=O)c2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3335733
Phase Preclinical
Structure Type MOL
InChI Key BFPGFOODCPGMKI-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

280.3
MW (Da)
4.29
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16O3
MW 280.32
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.45

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
25278230 10.1016/j.bmcl.2014.09.028 No relevant target 1

Data from ChEMBL 36 via Core Engine