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Compound Detail

CHEMBL1928883

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CCc1cc(-c2ccc3c(c2)NC(=O)CO3)n(-c2ccc(F)cc2)n1

Basic Information

ChEMBL ID CHEMBL1928883
Phase Preclinical
Structure Type MOL
InChI Key LPFDCHPWYGBTDH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
3.57
ALogP
4
HBA
1
HBD
56.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16FN3O2
MW 337.35
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.53

Activity Summary

IC50 1 meas. best 6.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mineralocorticoid receptor
CHEMBL1994
IC50 6.02 6.02 960.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22074142 10.1021/jm2011645 Mineralocorticoid receptor 1

Data from ChEMBL 36 via Core Engine