Compound Detail
CHEMBL4285077
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Basic Information
| ChEMBL ID | CHEMBL4285077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUKLAHZVLHVQDV-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
1.85
ALogP
7
HBA
1
HBD
130.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | EC50 | 5.28 | 5.28 | 5200.0 | 1 |
| Cerebellar granule neurone CHEMBL614452 | EC50 | 4.59 | 4.59 | 25880.0 | 1 |
| Aorta CHEMBL613606 | EC50 | 4.44 | 4.34 | 36040.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 | EC50 | = | 5200.0 | nM | 5.28 | Protective Effects of Compounds on Primary Cerebellum Granule Cells of Rats: Iso... | - |
| Cerebellar granule neurone | EC50 | = | 25880.0 | nM | 4.59 | Neuroprotective activity against glutamate-induced excitotoxicity in mouse prima... | 30108699 |
| Aorta | EC50 | = | 36040.0 | nM | 4.44 | Vasodilating activity in Sprague-Dawley rat aortic ring precontracted with pheny... | 30108699 |
| Aorta | EC50 | = | 57050.0 | nM | 4.24 | 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 | 3 |
Data from ChEMBL 36 via Core Engine