Compound Detail
CHEMBL1325250
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Basic Information
| ChEMBL ID | CHEMBL1325250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODKPRIUYEYROGE-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
418.9
MW (Da)
4.16
ALogP
6
HBA
0
HBD
50.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.94
IC50 2 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 6.21 | 6.21 | 615.1 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 5.94 | 5.665 | 1140.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.29 | 5.29 | 5120.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.38 | 4.325 | 42192.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 35 | IC50 | = | 615.09 | nM | 6.21 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists of GPR35. High conte... | - |
| Beta-2 adrenergic receptor | EC50 | = | 1140.0 | nM | 5.94 | PubChem BioAssay. Dose response for HTS for Beta-2AR agonists via FAP method fro... | - |
| Beta-2 adrenergic receptor | EC50 | = | 4090.0 | nM | 5.39 | PUBCHEM_BIOASSAY: Dose response for HTS for Beta-2AR agonists via FAP method fro... | - |
| Unchecked | IC50 | = | 5120.0 | nM | 5.29 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Unchecked | EC50 | = | 42192.0 | nM | 4.38 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 54081.0 | nM | 4.27 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine