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Compound Detail

CHEMBL486915

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CCC1(c2ccco2)OCC(=O)Nc2ccc(-c3coc(C#N)c3)cc21

Basic Information

ChEMBL ID CHEMBL486915
Phase Preclinical
Structure Type MOL
InChI Key ZXZKHPOIMBTKFW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
4.03
ALogP
5
HBA
1
HBD
88.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16N2O4
MW 348.36
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.19

Activity Summary

IC50 1 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
IC50 7.52 7.52 29.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18504132 10.1016/j.bmc.2008.05.018 Progesterone receptor 1

Data from ChEMBL 36 via Core Engine