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Compound Detail

CHEMBL519581

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CC1(C)OCC(=O)Nc2ccc(-c3cc(Cl)cc(Cl)c3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL519581
Phase Preclinical
Structure Type MOL
InChI Key HBPAPIGFDDVBTN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.2
MW (Da)
4.86
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.81
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 C17H15Cl2NO2
MW 336.22
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.16

Activity Summary

IC50 1 meas. best 7.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
 IC50 7.54 7.54 29.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor IC50 = 29.1 nM 7.54 Inhibition of progesterone receptor mediated progesterone-induced alkaline phosp... 18504132

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