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Compound Detail

CHEMBL48308

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COc1cccc2c1-c1ccc3c(c1C(C1/C=C\CCCCC1)O2)C(C)=CC(C)(C)N3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL48308
Phase Preclinical
Structure Type MOL
InChI Key NYZPSKBMSBIASN-FLIBITNWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

415.6
MW (Da)
7.54
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.51
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H33NO2
MW 415.58
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 0.92

Activity Summary

IC50 1 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucocorticoid receptor
CHEMBL2034
 IC50 6.64 6.64 230.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucocorticoid receptor IC50 = 230.0 nM 6.64 Inhibition of transcriptional repression in CV-1 cells expressing glucocorticoid... 15026058

Literature References

PubMed DOI Target Context # Activities
15026058 10.1016/j.bmcl.2004.01.044 Glucocorticoid receptor 5
15026058 10.1016/j.bmcl.2004.01.044 Progesterone receptor 1

Data from ChEMBL 36 via Core Engine