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Compound Detail

CHEMBL519883

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O=C1COC(c2cccs2)(c2cccs2)c2cc(-c3ccc(F)c(Cl)c3)ccc2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL519883
Phase Preclinical
Structure Type MOL
InChI Key JZBYYJURLHOPNX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

456.0
MW (Da)
6.53
ALogP
4
HBA
1
HBD
38.3
PSA (Ų)
0.38
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H15ClFNO2S2
MW 455.96
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.98

Activity Summary

IC50 1 meas. best 7.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
 IC50 7.19 7.19 65.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor IC50 = 65.2 nM 7.19 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