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Compound Detail

CHEMBL270909

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N#Cc1ccc(-c2ccc3c(c2)CC(=O)N3)[nH]1

Basic Information

ChEMBL ID CHEMBL270909
Phase Preclinical
Structure Type MOL
InChI Key TVDRXBFEEAXOTN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

223.2
MW (Da)
2.05
ALogP
2
HBA
2
HBD
68.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H9N3O
MW 223.24
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.84

Activity Summary

IC50 1 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
IC50 6.52 6.52 300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor IC50 = 300.0 nM 6.52 Antagonist activity at human PR expressed in human T47D cells assessed as inhibi... 18318463

Literature References

PubMed DOI Target Context # Activities
18318463 10.1021/jm701080t Progesterone receptor 2

Data from ChEMBL 36 via Core Engine