Compound Detail
CHEMBL161180
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Basic Information
| ChEMBL ID | CHEMBL161180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCUDNPNQOOAXTQ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
363.2
MW (Da)
5.01
ALogP
2
HBA
2
HBD
45.1
PSA (Ų)
0.59
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.62
Ki 1 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B CHEMBL1904 | Ki | 9.22 | 9.22 | 0.6 | 1 |
| Glutamate receptor ionotropic, NMDA 2B CHEMBL1904 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 68.0 | % | Rattus norvegicus |
| T1/2 | 7.0 | 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 | = | 0.6 | nM | 9.22 | Displacement of NMDA receptor-specific [3H]ifenprodil binding to recombinant hum... | 12639561 |
| Glutamate receptor ionotropic, NMDA 2B | IC50 | = | 24.0 | nM | 7.62 | Inhibition of the response to NMDA glutamate/glycine receptor NR2B subtype was d... | 12639561 |
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 |
| 12639561 | 10.1016/s0960-894x(02)01061-2 | Glutamate receptor ionotropic, NMDA 2A | 1 |
Data from ChEMBL 36 via Core Engine