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Compound Detail

CHEMBL148070

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CC1CC(c2ccccc2)=NN(C(=O)c2ccc(Cl)c(Cl)c2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL148070
Phase Preclinical
Structure Type MOL
InChI Key OOAVTSRCEHYJGU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.2
MW (Da)
4.88
ALogP
2
HBA
0
HBD
32.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16Cl2N2O
MW 347.25
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.16

Activity Summary

IC50 1 meas. best 7.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
 IC50 7.01 7.01 98.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor IC50 = 98.0 nM 7.01 Binding affinity against Progesterone receptor in human TE85 osteosarcoma cells ... 8523400

Literature References

PubMed DOI Target Context # Activities
8523400 10.1021/jm00025a004 Progesterone receptor 1

Data from ChEMBL 36 via Core Engine