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Compound Detail

CHEMBL2203822

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CCCC(=O)Nc1ccc(-c2ccc(C#N)n2C)cc1

Basic Information

ChEMBL ID CHEMBL2203822
Phase Preclinical
Structure Type MOL
InChI Key LIAYYMAKCKBDJR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

267.3
MW (Da)
3.30
ALogP
3
HBA
1
HBD
57.8
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17N3O
MW 267.33
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.30

Activity Summary

IC50 1 meas. best 7.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
IC50 7.11 7.11 78.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23079530 10.1016/j.bmcl.2012.09.077 Progesterone receptor 1

Data from ChEMBL 36 via Core Engine