Compound Detail
CHEMBL1457704
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Basic Information
| ChEMBL ID | CHEMBL1457704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLDVKCPDKYABTP-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
422.6
MW (Da)
5.49
ALogP
7
HBA
1
HBD
73.1
PSA (Ų)
0.46
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 7.62 | 6.915 | 23.8 | 2 |
| Unchecked CHEMBL612545 | EC50 | 4.85 | 4.85 | 14015.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 23.8 | nM | 7.62 | PubChem BioAssay. Dose response for HTS for Beta-2AR agonists via FAP method fro... | - |
| Beta-2 adrenergic receptor | EC50 | = | 615.0 | nM | 6.21 | PUBCHEM_BIOASSAY: Dose response for HTS for Beta-2AR agonists via FAP method fro... | - |
| Unchecked | EC50 | = | 14015.0 | nM | 4.85 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 14253.0 | nM | 4.85 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
Data from ChEMBL 36 via Core Engine