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Compound Detail

CHEMBL164908

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CC1Nc2ccc(-c3ccc(F)c(Cl)c3)cc2C(C)(C)O1

Basic Information

ChEMBL ID CHEMBL164908
Phase Preclinical
Structure Type MOL
InChI Key LPXGYQQVIMWYFD-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

305.8
MW (Da)
5.17
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.78
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 C17H17ClFNO
MW 305.78
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.28

Activity Summary

EC50 1 meas. best 7.5
IC50 1 meas. best 6.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
EC50 7.5 7.5 32.0 1
Progesterone receptor
CHEMBL208
IC50 6.67 6.67 212.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11859003 10.1016/s0960-894x(02)00025-2 Progesterone receptor 2

Data from ChEMBL 36 via Core Engine