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Compound Detail

CHEMBL491205

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CC1OCC(=O)Nc2ccc(-c3ccc(C#N)n3C)cc21

Basic Information

ChEMBL ID CHEMBL491205
Phase Preclinical
Structure Type MOL
InChI Key AODRPDCFMBWYCQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

281.3
MW (Da)
2.59
ALogP
4
HBA
1
HBD
67.0
PSA (Ų)
0.87
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 C16H15N3O2
MW 281.31
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.41

Activity Summary

EC50 1 meas. best 6.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
EC50 6.86 6.86 137.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Progesterone receptor EC50 = 137.7 nM 6.86 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