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Compound Detail

CHEMBL5886927

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CNC(=O)C[C@@H]1COc2ccccc2N1C(=O)c1ccc2c(c1)NC(=O)CO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5886927
Phase Preclinical
Structure Type MOL
InChI Key GNKWYKHEEWCEKY-CYBMUJFWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

381.4
MW (Da)
1.56
ALogP
5
HBA
2
HBD
97.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N3O5
MW 381.39
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.07

Activity Summary

IC50 1 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mineralocorticoid receptor
CHEMBL1994
 IC50 6.64 6.64 230.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mineralocorticoid receptor IC50 = 230.0 nM 6.64 scintillation proximity assay (SPA): Test A1 and A2: In order to identify bindin... -

Data from ChEMBL 36 via Core Engine