Compound Detail
CHEMBL40652
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Basic Information
| ChEMBL ID | CHEMBL40652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVJBOOXNZRWAJZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
269.6
MW (Da)
2.17
ALogP
6
HBA
2
HBD
109.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate [NMDA] receptor CHEMBL2094124 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate [NMDA] receptor | IC50 | = | 29.0 | nM | 7.54 | Inhibition of [3H]DCKA binding to N-methyl-D-aspartate glutamate receptor | 12699379 |
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 29.0 | nM | 7.54 | Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displa... | 9057859 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12699379 | 10.1021/jm0210156 | Glutamate [NMDA] receptor | 2 |
| 9057859 | 10.1021/jm960654b | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 9057859 | 10.1021/jm960654b | Mus musculus | 1 |
| 9057859 | 10.1021/jm960654b | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine