Compound Detail
CHEMBL1456621
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Basic Information
| ChEMBL ID | CHEMBL1456621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAPZEVVXHHFINT-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
4.52
ALogP
5
HBA
1
HBD
77.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.03
IC50 1 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 7.03 | 6.61 | 92.7 | 3 |
| Protein-tyrosine kinase 2-beta CHEMBL5469 | IC50 | 5.18 | 5.18 | 6606.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 92.7 | nM | 7.03 | PUBCHEM_BIOASSAY: Dose response for HTS for Beta-2AR agonists via FAP method fro... | - |
| Beta-2 adrenergic receptor | EC50 | = | 316.0 | nM | 6.5 | PUBCHEM_BIOASSAY: Dose response for HTS for Beta-2AR agonists via FAP method fro... | - |
| Beta-2 adrenergic receptor | EC50 | = | 503.4 | nM | 6.3 | PubChem BioAssay. Dose response for HTS for Beta-2AR agonists via FAP method fro... | - |
| Protein-tyrosine kinase 2-beta | IC50 | = | 6606.0 | nM | 5.18 | PUBCHEM_BIOASSAY: TR-FRET counterscreen for FAK inhibitors: dose-response bioche... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22738293 | 10.1021/jm300377g | HTH-type transcriptional regulator EthR | 1 |
Data from ChEMBL 36 via Core Engine