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Compound Detail

CHEMBL295827

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CC12CCC3C4CCC(=O)C=C4CCC3C1CCC2(O)/C=C\I

Basic Information

ChEMBL ID CHEMBL295827
Phase Preclinical
Structure Type MOL
InChI Key KIUMLVBHJJIUCE-KHPPLWFESA-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 2.05

Activity Summary

Ki 1 meas. best 8.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL3456
Ki 8.37 8.37 4.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor Ki = 4.26 nM 8.37 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