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Compound Detail

CHEMBL3916929

BALCINRENONE
🧪 Phase III
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🧪 Phase III
CNC(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2c(c1)NC(=O)CO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3916929
Name BALCINRENONE
Phase Phase III
Structure Type MOL
InChI Key MBKYLPOPYYLTNW-ZDUSSCGKSA-N

Known Names

Azd 9977 Azd-9977 Azd9977 Balcinrenona Balcinrenone
3
Targets
9
Activities
3
Assay Types
4
PK Parameters
5
Publications
5
Known Names
6
Indications
1
Mechanisms

Molecular Properties

399.4
MW (Da)
1.70
ALogP
5
HBA
2
HBD
97.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -renone

Extended Properties

Molecular Formula C20H18FN3O5
MW 399.38
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.26

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Mineralocorticoid receptor modulator MODULATOR Mineralocorticoid receptor ✓ ✓

Indications

Kidney Failure, Chronic Renal Insufficiency, Chronic Cardiovascular Diseases Heart Failure Kidney Diseases Liver Diseases

Activity Summary

IC50 6 meas. best 7.1
Ki 2 meas. best 7.4
EC50 1 meas. best 7.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mineralocorticoid receptor
CHEMBL1994
 EC50 7.9 7.9 12.6 1
Mineralocorticoid receptor
CHEMBL1994
 Ki 7.4 7.4 39.8 1
Mineralocorticoid receptor
CHEMBL3507
 IC50 7.1 7.1 79.4 1
Mineralocorticoid receptor
CHEMBL1994
 IC50 6.89 6.168 130.0 5
Glucocorticoid receptor
CHEMBL2034
 Ki 5.6 5.6 2511.9 1

Pharmacokinetic Data

Parameter Value Units Species
CL 24.0 mL.min-1.kg-1 Rattus norvegicus
F 32.0 % Rattus norvegicus
Fu 0.61 - Rattus norvegicus
T1/2 0.48 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mineralocorticoid receptor EC50 = 12.59 nM 7.9 Modulation activity at human mineralocorticoid receptor in human EA.hy926 cells ... 30596500
Mineralocorticoid receptor Ki = 39.81 nM 7.4 Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radi... 30596500
Mineralocorticoid receptor IC50 = 79.43 nM 7.1 Antagonist activity at gal4-fused rat mineralocorticoid receptor LBD in expresse... 30596500
Mineralocorticoid receptor IC50 = 130.0 nM 6.89 Binding Assay: Test A1: Briefly, in Test A1 the assay was run in 384 well format... -
Mineralocorticoid receptor IC50 = 240.0 nM 6.62 Binding Assay: Test A2: Briefly, in Test A1 the assay was run in 384 well format... -
Mineralocorticoid receptor IC50 = 316.23 nM 6.5 Antagonist activity at full length human mineralocorticoid receptor expressed in... 30596500
Mineralocorticoid receptor IC50 = 398.11 nM 6.4 Antagonist activity at gal4-fused human mineralocorticoid receptor LBD expressed... 30596500
Glucocorticoid receptor Ki = 2511.89 nM 5.6 Binding affinity to recombinant human GR LBD by fluormone GS red-fluorescence po... 30596500
Mineralocorticoid receptor IC50 = 37500.0 nM 4.43 scintillation proximity assay (SPA): Test A1 and A2: In order to identify bindin... -

Literature References

PubMed DOI Target Context # Activities
30596500 10.1021/acs.jmedchem.8b01523 Mineralocorticoid receptor 10
30596500 10.1021/acs.jmedchem.8b01523 ADMET 8
30596500 10.1021/acs.jmedchem.8b01523 Rattus norvegicus 2
30596500 10.1021/acs.jmedchem.8b01523 No relevant target 1
30596500 10.1021/acs.jmedchem.8b01523 Glucocorticoid receptor 1

Data from ChEMBL 36 via Core Engine