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Compound Detail

CHEMBL332726

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O=C1Cc2cc(-c3cccc([N+](=O)[O-])c3)ccc2N1

Basic Information

ChEMBL ID CHEMBL332726
Phase Preclinical
Structure Type MOL
InChI Key MEXTUIWYDKIZCP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

254.2
MW (Da)
2.76
ALogP
3
HBA
1
HBD
72.2
PSA (Ų)
0.66
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 C14H10N2O3
MW 254.25
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.16

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 6.52 299.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor IC50 = 299.0 nM 6.52 Progesterone receptor antagonist activity based on its ability to block progeste... 12419390

Literature References

PubMed DOI Target Context # Activities
12419390 10.1016/s0960-894x(02)00746-1 Progesterone receptor 1

Data from ChEMBL 36 via Core Engine