Compound Detail
CHEMBL4280560
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Basic Information
| ChEMBL ID | CHEMBL4280560 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHNDBLVSIRMDAO-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
301.3
MW (Da)
1.07
ALogP
7
HBA
1
HBD
130.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | EC50 | 5.36 | 5.36 | 4370.0 | 1 |
| Cerebellar granule neurone CHEMBL614452 | EC50 | 4.72 | 4.72 | 18910.0 | 1 |
| Aorta CHEMBL613606 | EC50 | 4.26 | 4.23 | 54970.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 | EC50 | = | 4370.0 | nM | 5.36 | Protective Effects of Compounds on Primary Cerebellum Granule Cells of Rats: Iso... | - |
| Cerebellar granule neurone | EC50 | = | 18910.0 | nM | 4.72 | Neuroprotective activity against glutamate-induced excitotoxicity in mouse prima... | 30108699 |
| Aorta | EC50 | = | 54970.0 | nM | 4.26 | Vasodilating activity in Sprague-Dawley rat aortic ring precontracted with pheny... | 30108699 |
| Aorta | EC50 | = | 62810.0 | nM | 4.2 | Vasodilating activity in Sprague-Dawley rat aortic ring precontracted with pheny... | 30108699 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108699 | 10.1039/C6MD00509H | Aorta | 4 |
| 30108699 | 10.1039/C6MD00509H | Cerebellar granule neurone | 2 |
Data from ChEMBL 36 via Core Engine