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Compound Detail

CHEMBL65689

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CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/C=O)Oc1ccc(F)cc1-3

Basic Information

ChEMBL ID CHEMBL65689
Phase Preclinical
Structure Type MOL
InChI Key DWRXZZOJNRAGLX-LSCVHKIXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
5.03
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.59
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 C21H18FNO2
MW 335.38
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.16

Activity Summary

IC50 1 meas. best 6.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
IC50 6.61 6.61 243.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor IC50 = 243.0 nM 6.61 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