Compound Detail
CHEMBL1319108
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Basic Information
| ChEMBL ID | CHEMBL1319108 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAVAKSHBFXECCG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
4.13
ALogP
4
HBA
1
HBD
79.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 7.49 | 7.295 | 32.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 32.24 | nM | 7.49 | PubChem BioAssay. Dose response for HTS for Beta-2AR agonists via FAP method fro... | - |
| Beta-2 adrenergic receptor | EC50 | = | 79.8 | nM | 7.1 | PUBCHEM_BIOASSAY: Dose response for HTS for Beta-2AR agonists via FAP method fro... | - |
Data from ChEMBL 36 via Core Engine