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Compound Detail

CHEMBL241733

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CCC1(c2ccc(Cl)cc2)OC(=O)N(C)c2ccc(Nc3cccc(Cl)c3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL241733
Phase Preclinical
Structure Type MOL
InChI Key SXDFJMZSGOYUHH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.3
MW (Da)
6.98
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.49
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 C23H20Cl2N2O2
MW 427.33
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.71

Activity Summary

IC50 1 meas. best 7.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
 IC50 7.14 7.14 71.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor IC50 = 71.8 nM 7.14 Antagonist activity at progesterone receptor expressed in T47D cells assessed as... 17027272

Literature References

PubMed DOI Target Context # Activities
17027272 10.1016/j.bmcl.2006.09.060 Progesterone receptor 1

Data from ChEMBL 36 via Core Engine