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Compound Detail

CHEMBL304815

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O=C1Nc2ccc(-c3ccc([N+](=O)[O-])[nH]3)cc2C12CCCCC2

Basic Information

ChEMBL ID CHEMBL304815
Phase Preclinical
Structure Type MOL
InChI Key OMOOEAGSSPUSMM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

311.3
MW (Da)
3.74
ALogP
3
HBA
2
HBD
88.0
PSA (Ų)
0.65
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 C17H17N3O3
MW 311.34
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.15

Activity Summary

IC50 1 meas. best 7.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
IC50 7.44 7.44 36.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15081005 10.1016/j.bmcl.2004.02.054 Progesterone receptor 4

Data from ChEMBL 36 via Core Engine