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Compound Detail

CHEMBL1929029

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N#Cc1cc(-c2ccc3c(c2)NC(=O)CO3)n(-c2ccc(F)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1929029
Phase Preclinical
Structure Type MOL
InChI Key ATLNPKJXZVIDSL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.3
MW (Da)
2.88
ALogP
5
HBA
1
HBD
79.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H11FN4O2
MW 334.31
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.52

Activity Summary

IC50 1 meas. best 6.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mineralocorticoid receptor
CHEMBL1994
 IC50 6.04 6.04 920.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mineralocorticoid receptor IC50 = 920.0 nM 6.04 Displacement of [3H]aldosterone from cytosolic human MR expressed in HEK293 cell... 22074142

Literature References

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

Data from ChEMBL 36 via Core Engine