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Compound Detail

CHEMBL3335734

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CC(C)c1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3335734
Phase Preclinical
Structure Type MOL
InChI Key DQGLQZPAIZEBON-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

296.3
MW (Da)
3.99
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.75
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 C18H16O4
MW 296.32
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 1.01

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