Compound Detail
CHEMBL2181929
MT-3995 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL2181929 |
| Name | MT-3995 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | AZNHWXAFPBYFGH-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
9
PK Parameters
8
Publications
3
Known Names
2
Indications
1
Mechanisms
Molecular Properties
364.4
MW (Da)
3.03
ALogP
4
HBA
1
HBD
75.7
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Mineralocorticoid receptor antagonist | ANTAGONIST | Mineralocorticoid receptor | ✓ | ✓ |
Indications
Diabetic Nephropathies Non-alcoholic Fatty Liver Disease
Activity Summary
IC50 3 meas. best 6.59
Ki 2 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL3507 | Ki | 7.51 | 7.51 | 30.8 | 1 |
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 6.59 | 6.575 | 256.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.54 | 6.54 | 288.0 | 1 |
| Glucocorticoid receptor CHEMBL3368 | Ki | 4.08 | 4.08 | 84200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 25011.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 10186.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 550.2 | mmHg.day | Rattus norvegicus |
| AUC | 248.8 | mmHg.day | Rattus norvegicus |
| CL | 1.905 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 4097.15 | nM | Rattus norvegicus |
| F | 81.8 | % | Rattus norvegicus |
| T1/2 | 8.59 | hr | Rattus norvegicus |
| T1/2 | 6.78 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | Ki | = | 30.8 | nM | 7.51 | Displacement of [3H]-aldosterone from rat mineralocorticoid receptor incubated o... | 35652647 |
| Mineralocorticoid receptor | IC50 | = | 256.0 | nM | 6.59 | Antagonist activity at human wild-type mineralocorticoid receptor expressed in C... | 35652647 |
| Mineralocorticoid receptor | IC50 | = | 276.0 | nM | 6.56 | Displacement of [3H]-aldosterone from recombinant human mineralocorticoid recept... | 35652647 |
| Unchecked | IC50 | = | 288.0 | nM | 6.54 | Antagonist activity at human mineralocorticoid receptor S810L mutant expressed i... | 35652647 |
| Glucocorticoid receptor | Ki | = | 84200.0 | nM | 4.08 | Displacement of [3H]-dexamethasone from rat glucocorticoid receptor incubated ov... | 35652647 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35652647 | 10.1021/acs.jmedchem.2c00402 | Rattus norvegicus | 28 |
| 35652647 | 10.1021/acs.jmedchem.2c00402 | Unchecked | 7 |
| 35652647 | 10.1021/acs.jmedchem.2c00402 | ADMET | 7 |
| 35652647 | 10.1021/acs.jmedchem.2c00402 | Mineralocorticoid receptor | 4 |
| 35652647 | 10.1021/acs.jmedchem.2c00402 | Glucocorticoid receptor | 2 |
| 22866979 | 10.1021/jm300806c | Mineralocorticoid receptor | 1 |
| 35652647 | 10.1021/acs.jmedchem.2c00402 | Estrogen receptor beta | 1 |
| 35652647 | 10.1021/acs.jmedchem.2c00402 | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine