Compound Detail
CHEMBL3823351
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Basic Information
| ChEMBL ID | CHEMBL3823351 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLLJBKWGHPARPW-LBPRGKRZSA-N |
1
Targets
3
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
2.86
ALogP
6
HBA
2
HBD
83.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor 1 CHEMBL2009 | IC50 | 7.21 | 5.2933 | 61.6 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 16.3 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor 1 | IC50 | = | 61.6 | nM | 7.21 | Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cel... | 27067148 |
| Glutamate receptor 1 | IC50 | = | 25700.0 | nM | 4.59 | Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cel... | 27067148 |
| Glutamate receptor 1 | IC50 | = | 83300.0 | nM | 4.08 | Antagonist activity at human iGluA1 receptor flip isoform expressed in CHO-S cel... | 27067148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27067148 | 10.1021/acs.jmedchem.6b00125 | Glutamate receptor 1 | 3 |
| 27067148 | 10.1021/acs.jmedchem.6b00125 | Liver microsome | 2 |
| 27067148 | 10.1021/acs.jmedchem.6b00125 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine