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Compound Detail

CHEMBL446389

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CC1OCC(=O)Nc2ccc(-c3ccc(C#N)[nH]3)cc21

Basic Information

ChEMBL ID CHEMBL446389
Phase Preclinical
Structure Type MOL
InChI Key FKGRMAJNZNSGCJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

267.3
MW (Da)
2.58
ALogP
3
HBA
2
HBD
77.9
PSA (Ų)
0.83
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 C15H13N3O2
MW 267.29
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.31

Activity Summary

EC50 1 meas. best 6.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
EC50 6.61 6.61 245.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor EC50 = 245.8 nM 6.61 Activity at progesterone receptor assessed as alkaline phosphatase activity in h... 18722119

Literature References

PubMed DOI Target Context # Activities
18722119 10.1016/j.bmcl.2008.08.015 Progesterone receptor 1

Data from ChEMBL 36 via Core Engine