Compound Detail
CHEMBL1387056
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Basic Information
| ChEMBL ID | CHEMBL1387056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNXVIGKEBHAFIY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
2.81
ALogP
9
HBA
1
HBD
77.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 5.77 | 5.415 | 1710.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 1710.0 | nM | 5.77 | PubChem BioAssay. Dose response for HTS for Beta-2AR agonists via FAP method fro... | - |
| Beta-2 adrenergic receptor | EC50 | = | 8760.0 | nM | 5.06 | PUBCHEM_BIOASSAY: Dose response for HTS for Beta-2AR agonists via FAP method fro... | - |
Data from ChEMBL 36 via Core Engine