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Compound Detail

CHEMBL295475

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C=C1CCCCC1C1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3

Basic Information

ChEMBL ID CHEMBL295475
Phase Preclinical
Structure Type MOL
InChI Key NZPCXKZTDCQMHF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

401.6
MW (Da)
7.15
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.54
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 C27H31NO2
MW 401.55
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 1.13

Activity Summary

IC50 1 meas. best 6.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucocorticoid receptor
CHEMBL2034
IC50 6.5 6.5 320.0 1

Activity Data Samples

Top measurements by pChEMBL value

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