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Compound Detail

CHEMBL65227

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CC(=O)/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3

Basic Information

ChEMBL ID CHEMBL65227
Phase Preclinical
Structure Type MOL
InChI Key PFTDSYWCTDJYSP-OCKHKDLRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
5.42
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.70
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 C22H20FNO2
MW 349.41
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.08

Activity Summary

IC50 1 meas. best 6.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
IC50 6.91 6.91 124.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor IC50 = 124.0 nM 6.91 Inhibitory concentration for antagonistic activity towards human progesterone re... 12781197

Literature References

PubMed DOI Target Context # Activities
12781197 10.1016/s0960-894x(03)00255-5 Progesterone receptor 5

Data from ChEMBL 36 via Core Engine