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Compound Detail

CHEMBL350745

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CC1(C)Nc2ccc(-c3cc(F)cc(C#N)c3)cc2C(C)(C)O1

Basic Information

ChEMBL ID CHEMBL350745
Phase Preclinical
Structure Type MOL
InChI Key CKGYYSCRMPSKOV-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
4.78
ALogP
3
HBA
1
HBD
45.0
PSA (Ų)
0.82
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 C19H19FN2O
MW 310.37
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.36

Activity Summary

EC50 1 meas. best 7.96
IC50 1 meas. best 7.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
EC50 7.96 7.96 10.9 1
Progesterone receptor
CHEMBL208
IC50 7.38 7.38 42.0 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