Compound Detail
CHEMBL5187677
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Basic Information
| ChEMBL ID | CHEMBL5187677 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXSYMZJDFHHWMM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
243.3
MW (Da)
3.25
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2a CHEMBL2096680 | IC50 | 5.36 | 5.36 | 4400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2a | IC50 | = | 4400.0 | nM | 5.36 | Inhibition of eGFP-tagged rat GluN1-1a/GluN2A transfected in human tsA201 cells ... | 35453065 |
| Glutamate NMDA receptor; Grin1/Grin2a | IC50 | = | 4400.0 | nM | 5.36 | Inhibition of eGFP-tagged rat GluN1-1a/GluN2A transfected in human tsA201 cells ... | 35453065 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35453065 | 10.1016/j.ejmech.2022.114354 | Glutamate NMDA receptor; Grin1/Grin2a | 7 |
| 35453065 | 10.1016/j.ejmech.2022.114354 | ADMET | 6 |
| 35453065 | 10.1016/j.ejmech.2022.114354 | Unchecked | 6 |
| 35453065 | 10.1016/j.ejmech.2022.114354 | Cytochrome P450 3A4 | 2 |
| 35453065 | 10.1016/j.ejmech.2022.114354 | Caenorhabditis elegans | 2 |
| 35453065 | 10.1016/j.ejmech.2022.114354 | Mus musculus | 2 |
| 35453065 | 10.1016/j.ejmech.2022.114354 | Cytochrome P450 1A2 | 1 |
| 35453065 | 10.1016/j.ejmech.2022.114354 | Cytochrome P450 2C19 | 1 |
| 35453065 | 10.1016/j.ejmech.2022.114354 | Cytochrome P450 2C9 | 1 |
| 35453065 | 10.1016/j.ejmech.2022.114354 | Cytochrome P450 2D6 | 1 |
| 35453065 | 10.1016/j.ejmech.2022.114354 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 35453065 | 10.1016/j.ejmech.2022.114354 | N2a | 1 |
Data from ChEMBL 36 via Core Engine