Compound Detail
CHEMBL68134
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Basic Information
| ChEMBL ID | CHEMBL68134 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJZREMJRJAYQCL-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
6
PK Parameters
5
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
3.86
ALogP
3
HBA
2
HBD
52.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.01
Ki 1 meas. best 9.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; GRIN1/GRIN2B CHEMBL1907603 | Ki | 9.07 | 9.07 | 0.8 | 1 |
| Glutamate NMDA receptor; GRIN1/GRIN2B CHEMBL1907603 | IC50 | 8.01 | 8.01 | 9.7 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 6.14 | 6.14 | 730.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 12.3 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 0.6 | mL.min-1.kg-1 | Canis lupus familiaris |
| F | 6.4 | % | Rattus norvegicus |
| F | 87.0 | % | Canis lupus familiaris |
| T1/2 | 1.0 | hr | Rattus norvegicus |
| T1/2 | 6.5 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; GRIN1/GRIN2B | Ki | = | 0.85 | nM | 9.07 | Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)ci... | 15056006 |
| Glutamate NMDA receptor; GRIN1/GRIN2B | IC50 | = | 9.7 | nM | 8.01 | In vitro inhibition of Glu/Gly stimulated [Ca2+] influx in LtK-cells expressing ... | 15056006 |
| Adrenergic receptor alpha-1 | IC50 | = | 730.0 | nM | 6.14 | In vitro inhibitory activity against alpha-1 adrenergic receptor binding to rat ... | 15056006 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15056006 | 10.1021/jm030483s | Rattus norvegicus | 4 |
| 15056006 | 10.1021/jm030483s | Canis familiaris | 3 |
| 15056006 | 10.1021/jm030483s | Glutamate NMDA receptor; GRIN1/GRIN2B | 2 |
| 15056006 | 10.1021/jm030483s | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 15056006 | 10.1021/jm030483s | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine