Compound Detail
CHEMBL304070
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Basic Information
| ChEMBL ID | CHEMBL304070 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHMKZOBPYPISHR-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
305.4
MW (Da)
4.02
ALogP
2
HBA
1
HBD
31.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.15
Ki 1 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; GRIN1/GRIN2B CHEMBL1907603 | Ki | 6.38 | 6.38 | 420.0 | 1 |
| Glutamate NMDA receptor; GRIN1/GRIN2B CHEMBL1907603 | IC50 | 6.15 | 6.15 | 710.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; GRIN1/GRIN2B | Ki | = | 420.0 | nM | 6.38 | Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)ci... | 15056006 |
| Glutamate NMDA receptor; GRIN1/GRIN2B | IC50 | = | 710.0 | nM | 6.15 | In vitro inhibition of Glu/Gly stimulated [Ca2+] influx in LtK-cells expressing ... | 15056006 |
| Adrenergic receptor alpha-1 | IC50 | = | 2800.0 | nM | 5.55 | In vitro inhibitory activity against alpha-1 adrenergic receptor binding to rat ... | 15056006 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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