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Compound Detail

CHEMBL92026

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Oc1nc2ccc(-c3cccc(Cl)c3)cc2n1Cc1ccccc1

Basic Information

ChEMBL ID CHEMBL92026
Phase Preclinical
Structure Type MOL
InChI Key HMLVMHDKNACECO-UHFFFAOYSA-N
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.8
MW (Da)
5.11
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.57
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15ClN2O
MW 334.81
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.20

Activity Summary

IC50 2 meas. best 6.95
Ki 1 meas. best 6.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
IC50 6.95 6.665 112.8 2
Progesterone receptor
CHEMBL208
Ki 6.28 6.28 521.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11591515 10.1016/s0960-894x(01)00554-6 Progesterone receptor 3

Data from ChEMBL 36 via Core Engine