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Compound Detail

CHEMBL480406

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Cc1cc(C(C)(C)c2cc(C)c(O)c(C)c2)cc(C)c1O

Basic Information

ChEMBL ID CHEMBL480406
Phase Preclinical
Structure Type MOL
InChI Key ODJUOZPKKHIEOZ-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

284.4
MW (Da)
4.66
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.84
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 C19H24O2
MW 284.40
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.03

Activity Summary

IC50 3 meas. best 5.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.58 5.145 2600.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21353727 10.1016/j.ejmech.2011.01.069 Unchecked 2
19117760 10.1016/j.bmc.2008.12.010 Unchecked 1
23643898 10.1016/j.bmc.2013.04.012 Unchecked 1

Data from ChEMBL 36 via Core Engine