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Compound Detail

CHEMBL49966

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CCOC1=CC(=O)C(Cc2ccc([N+](=O)[O-])cc2)C(C)(C)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL49966
Phase Preclinical
Structure Type MOL
InChI Key PSTNYIFWPFWIGJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

303.4
MW (Da)
3.67
ALogP
4
HBA
0
HBD
69.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21NO4
MW 303.36
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.19

Activity Summary

IC50 1 meas. best 5.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
 IC50 5.61 5.61 2443.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor IC50 = 2443.0 nM 5.61 Concentration required to give half-maximal inhibition against human Progesteron... 8627601

Literature References

PubMed DOI Target Context # Activities
8627601 10.1021/jm950747d Progesterone receptor 4
8627601 10.1021/jm950747d Glucocorticoid receptor 1
8627601 10.1021/jm950747d Androgen receptor 1
8627601 10.1021/jm950747d Estrogen receptor 1

Data from ChEMBL 36 via Core Engine