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Compound Detail

CHEMBL408696

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Cn1c(C#N)ccc1-c1cc(F)c2c(c1)C(C)(C)C(=O)N2C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL408696
Phase Preclinical
Structure Type MOL
InChI Key FVPNOOFJTXKDHD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
4.66
ALogP
3
HBA
0
HBD
49.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24FN3O
MW 365.45
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.57

Activity Summary

IC50 1 meas. best 6.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
 IC50 6.71 6.71 194.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor IC50 = 194.0 nM 6.71 Antagonist activity at human PR expressed in human T47D cells assessed as inhibi... 18318463

Literature References

PubMed DOI Target Context # Activities
18318463 10.1021/jm701080t Progesterone receptor 1

Data from ChEMBL 36 via Core Engine