Compound Detail
CHEMBL65693
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Basic Information
| ChEMBL ID | CHEMBL65693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOUFPIVQKJMXMT-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
4.32
ALogP
4
HBA
2
HBD
84.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.14
Ki 1 meas. best 9.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; GRIN1/GRIN2B CHEMBL1907603 | Ki | 9.17 | 9.17 | 0.7 | 1 |
| Glutamate NMDA receptor; GRIN1/GRIN2B CHEMBL1907603 | IC50 | 9.14 | 9.14 | 0.7 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 8.3 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 97.0 | % | Rattus norvegicus |
| T1/2 | 1.967 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; GRIN1/GRIN2B | Ki | = | 0.68 | nM | 9.17 | Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)ci... | 15056006 |
| Glutamate NMDA receptor; GRIN1/GRIN2B | IC50 | = | 0.72 | nM | 9.14 | In vitro inhibition of Glu/Gly stimulated [Ca2+] influx in LtK-cells expressing ... | 15056006 |
| Adrenergic receptor alpha-1 | IC50 | = | 4000.0 | nM | 5.4 | 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 |
| - | 10.6019/CHEMBL3301361 | ADMET | 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