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Compound Detail

CHEMBL473376

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C=C(CC)Cc1ccc(OC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL473376
Phase Preclinical
Structure Type MOL
InChI Key HLMUPQKIHXOJGQ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

176.3
MW (Da)
3.20
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.64
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 C12H16O
MW 176.26
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.11

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19251422 10.1016/j.bmc.2009.02.009 Unchecked 1

Data from ChEMBL 36 via Core Engine