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Compound Detail

CHEMBL1325149

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O=c1cc(N2CCN(c3cccc(Cl)c3)CC2)[nH]c(=O)n1C1CCCCC1

Basic Information

ChEMBL ID CHEMBL1325149
Phase Preclinical
Structure Type MOL
InChI Key CHMQQIFPOIZPIJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

388.9
MW (Da)
3.02
ALogP
5
HBA
1
HBD
61.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H25ClN4O2
MW 388.90
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.28

Activity Summary

IC50 1 meas. best 5.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nuclear receptor subfamily 5 group A member 2
CHEMBL3544
IC50 5.43 5.43 3700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34839661 10.1021/acs.jmedchem.1c01663 Nuclear receptor subfamily 5 group A member 2 2
32184971 10.1021/acsmedchemlett.9b00442 Nuclear receptor subfamily 5 group A member 2 1
32184971 10.1021/acsmedchemlett.9b00442 Steroidogenic factor 1 1

Data from ChEMBL 36 via Core Engine