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Compound Detail

CHEMBL286130

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C=C1CC(C)(C)Nc2ccc3c(c21)C(c1ccc(Cl)cc1)Oc1ccccc1-3

Basic Information

ChEMBL ID CHEMBL286130
Phase Preclinical
Structure Type MOL
InChI Key VVZDMFDMLBMVHA-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

387.9
MW (Da)
7.10
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.48
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22ClNO
MW 387.91
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.33

Activity Summary

EC50 1 meas. best 6.91
IC50 1 meas. best 5.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
EC50 6.91 6.91 124.0 1
Progesterone receptor
CHEMBL208
IC50 5.76 5.76 1755.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10212133 10.1021/jm980723h Progesterone receptor 5

Data from ChEMBL 36 via Core Engine