Compound Detail
CHEMBL467888
LGD-2941 Phase I
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Phase I
C[C@@H]1CC[C@H]([C@@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1
Basic Information
| ChEMBL ID | CHEMBL467888 |
| Name | LGD-2941 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | HWLLYFXDDGGHOE-BCSUUIJWSA-N |
3
Targets
7
Activities
2
Assay Types
3
PK Parameters
10
Publications
3
Known Names
1
Mechanisms
Molecular Properties
394.3
MW (Da)
3.83
ALogP
3
HBA
2
HBD
56.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Androgen Receptor modulator | MODULATOR | Androgen receptor | ✓ | ✓ |
Activity Summary
Ki 5 meas. best 8.82
EC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | Ki | 8.82 | 8.61 | 1.5 | 3 |
| Androgen receptor CHEMBL1871 | EC50 | 8.15 | 8.15 | 7.1 | 2 |
| Progesterone receptor CHEMBL208 | Ki | 5.6 | 5.6 | 2500.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | Ki | 5.08 | 5.08 | 8300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 11800.0 | ng.hr.mL-1 | Rattus norvegicus |
| F | 100.0 | % | Rattus norvegicus |
| T1/2 | 2.7 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 1.5 | nM | 8.82 | Binding affinity to human AR | 17887661 |
| Androgen receptor | Ki | = | 1.5 | nM | 8.82 | Agonist activity at androgen receptor | 19432422 |
| Androgen receptor | Ki | = | 6.5 | nM | 8.19 | Binding affinity to human Androgen receptor | 35786895 |
| Androgen receptor | EC50 | = | 7.1 | nM | 8.15 | Agonist activity at human androgen receptor by luciferase reporter gene assay | 17887661 |
| Androgen receptor | EC50 | = | 7.1 | nM | 8.15 | Agonist activity at human Androgen receptor | 35786895 |
| Progesterone receptor | Ki | = | 2500.0 | nM | 5.6 | Binding affinity to PR | 17887661 |
| Glucocorticoid receptor | Ki | = | 8300.0 | nM | 5.08 | Binding affinity to GR | 17887661 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17887661 | 10.1021/jm070231h | Androgen receptor | 5 |
| 17887661 | 10.1021/jm070231h | Rattus norvegicus | 3 |
| 35786895 | 10.1021/acs.jmedchem.2c00716 | Androgen receptor | 3 |
| 19432422 | 10.1021/jm900280m | Rattus norvegicus | 2 |
| 17887661 | 10.1021/jm070231h | Mineralocorticoid receptor | 1 |
| 17887661 | 10.1021/jm070231h | Estrogen receptor | 1 |
| 17887661 | 10.1021/jm070231h | Progesterone receptor | 1 |
| 17887661 | 10.1021/jm070231h | Glucocorticoid receptor | 1 |
| 19432422 | 10.1021/jm900280m | Androgen receptor | 1 |
| 17887661 | 10.1021/jm070231h | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine