Compound Detail
CHEMBL159279
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Basic Information
| ChEMBL ID | CHEMBL159279 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGOCAMFQDLFNQK-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
362.3
MW (Da)
4.72
ALogP
2
HBA
2
HBD
45.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.33
Ki 3 meas. best 8.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B CHEMBL311 | Ki | 8.09 | 8.09 | 8.1 | 1 |
| Glutamate receptor ionotropic, NMDA 2B CHEMBL1904 | IC50 | 7.33 | 7.33 | 47.0 | 3 |
| Glutamate receptor ionotropic, NMDA 2B CHEMBL1904 | Ki | 7.14 | 7.14 | 72.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 100.0 | % | Rattus norvegicus |
| T1/2 | 2.45 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B | Ki | = | 8.09 | nM | 8.09 | Displacement of [3H]ifenprodil from Wistar rat GluN2B receptor after 2 hrs by li... | 24412068 |
| Glutamate receptor ionotropic, NMDA 2B | IC50 | = | 47.0 | nM | 7.33 | Inhibition of the response to NMDA glutamate/glycine receptor NR2B subtype was d... | 12639561 |
| Glutamate receptor ionotropic, NMDA 2B | IC50 | = | 47.0 | nM | 7.33 | Antagonist activity at NMDA NR2B receptor assessed as calcium flux | 17498948 |
| Glutamate receptor ionotropic, NMDA 2B | IC50 | = | 47.0 | nM | 7.33 | Antagonist activity at GluN2B receptor (unknown origin) by FLIPR assay | 24412068 |
| Glutamate receptor ionotropic, NMDA 2B | Ki | = | 72.0 | nM | 7.14 | Displacement of NMDA receptor-specific [3H]ifenprodil binding to recombinant hum... | 12639561 |
| Glutamate receptor ionotropic, NMDA 2B | Ki | = | 72.0 | nM | 7.14 | Binding affinity to NMDA NR2B receptor | 17498948 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12639561 | 10.1016/s0960-894x(02)01061-2 | Rattus norvegicus | 3 |
| 12639561 | 10.1016/s0960-894x(02)01061-2 | Glutamate receptor ionotropic, NMDA 2B | 2 |
| 17498948 | 10.1016/j.bmcl.2007.04.084 | Glutamate receptor ionotropic, NMDA 2B | 2 |
| 24412068 | 10.1016/j.bmcl.2013.12.087 | Glutamate receptor ionotropic, NMDA 2B | 2 |
| 12639561 | 10.1016/s0960-894x(02)01061-2 | Glutamate receptor ionotropic, NMDA 2A | 1 |
Data from ChEMBL 36 via Core Engine