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Compound Detail

CHEMBL144803

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O=C(c1ccc(F)c(F)c1)N1CCCC(c2ccccc2)=N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL144803
Phase Preclinical
Structure Type MOL
InChI Key YAFBUYLGFUEMRI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

300.3
MW (Da)
3.61
ALogP
2
HBA
0
HBD
32.7
PSA (Ų)
0.83
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 C17H14F2N2O
MW 300.31
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.60

Activity Summary

IC50 1 meas. best 6.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
 IC50 6.29 6.29 515.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor IC50 = 515.0 nM 6.29 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