Compound Detail
CHEMBL97574
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Basic Information
| ChEMBL ID | CHEMBL97574 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYTOVCNIMJIGDL-FPNSYFSOSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
3.06
ALogP
4
HBA
3
HBD
109.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 7.15 | 7.15 | 71.0 | 1 |
| Metabotropic glutamate receptor 3 CHEMBL3067 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Metabotropic glutamate receptor 8 CHEMBL3228 | IC50 | 5.91 | 5.91 | 1230.0 | 1 |
| Metabotropic glutamate receptor 7 CHEMBL3777 | IC50 | 4.64 | 4.64 | 23070.0 | 1 |
| Metabotropic glutamate receptor 4 CHEMBL2736 | IC50 | 4.2 | 4.2 | 62850.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 71.0 | nM | 7.15 | Antagonistic activity was evaluated by using ACPD sensitive [3H]-glutamate bindi... | 9873635 |
| Metabotropic glutamate receptor 3 | IC50 | = | 1000.0 | nM | 6.0 | Antagonistic activity against metabotropic glutamate receptor 3 (mGluR3) was eva... | 9873635 |
| Metabotropic glutamate receptor 8 | IC50 | = | 1230.0 | nM | 5.91 | Antagonistic activity against metabotropic glutamate receptor 8 (mGluR8) was eva... | 9873635 |
| Metabotropic glutamate receptor 7 | IC50 | = | 23070.0 | nM | 4.64 | Antagonistic activity against metabotropic glutamate receptor 7 (mGluR7) was eva... | 9873635 |
| Metabotropic glutamate receptor 4 | IC50 | = | 62850.0 | nM | 4.2 | Antagonistic activity against metabotropic glutamate receptor 4 (mGluR4) was eva... | 9873635 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873635 | 10.1016/s0960-894x(98)00510-1 | Rattus norvegicus | 1 |
| 9873635 | 10.1016/s0960-894x(98)00510-1 | Metabotropic glutamate receptor 2 | 1 |
| 9873635 | 10.1016/s0960-894x(98)00510-1 | Metabotropic glutamate receptor 3 | 1 |
| 9873635 | 10.1016/s0960-894x(98)00510-1 | Metabotropic glutamate receptor 1 | 1 |
| 9873635 | 10.1016/s0960-894x(98)00510-1 | Metabotropic glutamate receptor 5 | 1 |
| 9873635 | 10.1016/s0960-894x(98)00510-1 | Metabotropic glutamate receptor 4 | 1 |
| 9873635 | 10.1016/s0960-894x(98)00510-1 | Metabotropic glutamate receptor 7 | 1 |
| 9873635 | 10.1016/s0960-894x(98)00510-1 | Metabotropic glutamate receptor 8 | 1 |
Data from ChEMBL 36 via Core Engine