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Compound Detail

CHEMBL2348783

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C[C@]12C=CC(=O)C=C1CC[C@@H]1C2=CC[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO

Basic Information

ChEMBL ID CHEMBL2348783
Phase Preclinical
Structure Type MOL
InChI Key MATJXMUQVASJHW-ONKRVSLGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
2.51
ALogP
4
HBA
2
HBD
74.6
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 C21H26O4
MW 342.44
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness 2.76

Activity Summary

EC50 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 6.89 6.89 129.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 129.0 nM 6.89 Inhibition of TNFalpha-induced NFkappaB activation in mouse C2C12 cells incubate... 23498916

Literature References

PubMed DOI Target Context # Activities
23498916 10.1016/j.bmc.2013.02.009 Glucocorticoid receptor 1
23498916 10.1016/j.bmc.2013.02.009 Unchecked 1

Data from ChEMBL 36 via Core Engine