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Compound Detail

CHEMBL136376

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CC1(C)OC(=O)Nc2ccc(-c3cc(F)cc(Cl)c3)cc21

Basic Information

ChEMBL ID CHEMBL136376
Phase Preclinical
Structure Type MOL
InChI Key QFJFPUFDMQGULL-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

305.7
MW (Da)
4.94
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13ClFNO2
MW 305.74
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.19

Activity Summary

EC50 1 meas. best 6.3
IC50 1 meas. best 8.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
IC50 8.59 8.59 2.6 1
Progesterone receptor
CHEMBL208
EC50 6.3 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12238914 10.1021/jm025555e Progesterone receptor 4
12238914 10.1021/jm025555e Estrogen receptor 1

Data from ChEMBL 36 via Core Engine