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Compound Detail

CHEMBL144815

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

Basic Information

ChEMBL ID CHEMBL144815
Phase Preclinical
Structure Type MOL
InChI Key JTSZTPRINPGPPC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.8
MW (Da)
5.00
ALogP
2
HBA
0
HBD
32.7
PSA (Ų)
0.74
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 C18H14ClF3N2O
MW 366.77
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.43

Activity Summary

IC50 1 meas. best 6.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
 IC50 6.57 6.57 270.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor IC50 = 270.0 nM 6.57 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