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Compound Detail

CHEMBL57078

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C[C@]12CCC3C(CCC4=CC(=O)CC[C@@H]43)C1CC[C@@]2(O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL57078
Phase Preclinical
Structure Type MOL
InChI Key JKIHSRJVVBRFBB-FENNALGTSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
4.42
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H25F3O2
MW 342.40
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 1.90

Activity Summary

IC50 1 meas. best 8.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL2596
 IC50 8.92 8.92 1.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor IC50 = 1.2 nM 8.92 Inhibition of [3H]R5020 binding to cytosolic progesterone receptor (PRc) of rat ... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00320-S Progesterone receptor 2

Data from ChEMBL 36 via Core Engine