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Compound Detail

CHEMBL1215198

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N#Cc1ccc(N2N=C(c3ccc(C(=O)O)c(OCCCO)c3)C[C@@H]2C2CCCC2)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1215198
Phase Preclinical
Structure Type MOL
InChI Key GSUWQWXASSCRRA-HSZRJFAPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

467.9
MW (Da)
4.84
ALogP
6
HBA
2
HBD
106.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26ClN3O4
MW 467.95
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.93

Activity Summary

IC50 1 meas. best 7.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mineralocorticoid receptor
CHEMBL1994
 IC50 7.89 7.89 13.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mineralocorticoid receptor IC50 = 13.0 nM 7.89 Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human... 20672822

Literature References

PubMed DOI Target Context # Activities
20672822 10.1021/jm100505n Mineralocorticoid receptor 1

Data from ChEMBL 36 via Core Engine