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Compound Detail

CHEMBL451352

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

Basic Information

ChEMBL ID CHEMBL451352
Phase Preclinical
Structure Type MOL
InChI Key HXRBMAXKVVLXFD-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

162.2
MW (Da)
2.81
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H14O
MW 162.23
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.12

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