Compound Detail
CHEMBL375611
LY404039 Phase I
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Phase I
Basic Information
| ChEMBL ID | CHEMBL375611 |
| Name | LY404039 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | AVDUGNCTZRCAHH-MDASVERJSA-N |
3
Targets
5
Activities
2
Assay Types
8
PK Parameters
13
Publications
5
Known Names
2
Mechanisms
Molecular Properties
235.2
MW (Da)
-2.10
ALogP
5
HBA
3
HBD
134.8
PSA (Ų)
0.50
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 |
|---|---|---|---|---|
| Metabotropic glutamate receptor 2 agonist | AGONIST | Metabotropic glutamate receptor 2 | ✓ | ✓ |
| Metabotropic glutamate receptor 3 agonist | AGONIST | Metabotropic glutamate receptor 3 | ✓ | ✓ |
Activity Summary
EC50 3 meas. best 7.63
Ki 2 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL5137 | EC50 | 7.63 | 7.63 | 23.4 | 1 |
| Metabotropic glutamate receptor 3 CHEMBL2888 | EC50 | 7.32 | 7.32 | 48.0 | 1 |
| Metabotropic glutamate receptor 3 CHEMBL2888 | Ki | 7.04 | 7.04 | 92.0 | 1 |
| Metabotropic glutamate receptor 2 CHEMBL5137 | Ki | 6.83 | 6.83 | 149.0 | 1 |
| Metabotropic glutamate receptor 8 CHEMBL3228 | EC50 | 4.32 | 4.32 | 47773.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 2900.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 7200.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 7.2 | ug ml-1 | Rattus norvegicus |
| Cmax | 31885043.79 | nM | Rattus norvegicus |
| Cmax | 17005356.69 | nM | Rattus norvegicus |
| F | 63.0 | % | Rattus norvegicus |
| Tmax | - | hr | Rattus norvegicus |
| Tmax | 1.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | EC50 | = | 23.4 | nM | 7.63 | Agonist activity at human mGluR2 assessed as effect on cAMP production in RGT ce... | 17228865 |
| Metabotropic glutamate receptor 3 | EC50 | = | 48.0 | nM | 7.32 | Agonist activity at human mGluR3 assessed as effect on cAMP production in RGT ce... | 17228865 |
| Metabotropic glutamate receptor 3 | Ki | = | 92.0 | nM | 7.04 | Displacement of [3H]LY341495 from human recombinant mGluR3 in RGT cells | 17228865 |
| Metabotropic glutamate receptor 2 | Ki | = | 149.0 | nM | 6.83 | Displacement of [3H]LY341495 from human recombinant mGluR2 in RGT cells | 17228865 |
| Metabotropic glutamate receptor 8 | EC50 | = | 47773.0 | nM | 4.32 | Agonist activity at human mGluR8 assessed as effect on cAMP production in RGT ce... | 17228865 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17228865 | 10.1021/jm060917u | Rattus norvegicus | 14 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 17228865 | 10.1021/jm060917u | Metabotropic glutamate receptor 2 | 2 |
| 17228865 | 10.1021/jm060917u | Metabotropic glutamate receptor 3 | 2 |
| 17228865 | 10.1021/jm060917u | Metabotropic glutamate receptor 1 | 2 |
| 17228865 | 10.1021/jm060917u | Metabotropic glutamate receptor 5 | 2 |
| 17228865 | 10.1021/jm060917u | Metabotropic glutamate receptor 4 | 2 |
| 17228865 | 10.1021/jm060917u | Metabotropic glutamate receptor 7 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 17228865 | 10.1021/jm060917u | Metabotropic glutamate receptor 8 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine