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Compound Detail

CHEMBL486707

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CCCC1(c2cccs2)OCC(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL486707
Phase Preclinical
Structure Type MOL
InChI Key QBINHQGBESEKBY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

415.9
MW (Da)
6.22
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.55
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19ClFNO2S
MW 415.92
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.94

Activity Summary

IC50 1 meas. best 6.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
 IC50 6.46 6.46 349.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor IC50 = 349.4 nM 6.46 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