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Compound Detail

CHEMBL163833

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CC(C)C1Nc2ccc(-c3cc(F)cc(C#N)c3)cc2C(C)(C)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL163833
Phase Preclinical
Structure Type MOL
InChI Key JSNIBELMASXADL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
5.02
ALogP
3
HBA
1
HBD
45.0
PSA (Ų)
0.84
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21FN2O
MW 324.40
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.29

Activity Summary

IC50 1 meas. best 7.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
 IC50 7.33 7.33 47.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor IC50 = 47.0 nM 7.33 Antagonistic activity against Progesterone receptor (PR) in transcriptional acti... 11859003

Literature References

PubMed DOI Target Context # Activities
11859003 10.1016/s0960-894x(02)00025-2 Progesterone receptor 3

Data from ChEMBL 36 via Core Engine