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Compound Detail

CHEMBL423844

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C=C(I)C1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C

Basic Information

ChEMBL ID CHEMBL423844
Phase Preclinical
Structure Type MOL
InChI Key STLPLOKZXSOILW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

426.3
MW (Da)
4.81
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.61
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 C20H27IO2
MW 426.34
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 2.06

Activity Summary

Ki 1 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL3456
Ki 7.1 7.1 80.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor Ki = 80.1 nM 7.1 Inhibition of [3H]R5020 binding to rabbit uterine progesterone receptor 4067997

Literature References

PubMed DOI Target Context # Activities
4067997 10.1021/jm00149a027 Progesterone receptor 1

Data from ChEMBL 36 via Core Engine