Compound Detail
CHEMBL4282215
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Basic Information
| ChEMBL ID | CHEMBL4282215 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPIZJISFGAZXLS-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
229.2
MW (Da)
2.08
ALogP
4
HBA
2
HBD
66.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 7.06 | 6.175 | 87.9 | 2 |
| RAW264.7 CHEMBL612557 | EC50 | 4.75 | 4.745 | 17960.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 87.86 | nM | 7.06 | Agonist activity at beta2 adrenoceptor (unknown origin) expressed in CHO-K1 cell... | 33213146 |
| Beta-2 adrenergic receptor | EC50 | = | 5100.0 | nM | 5.29 | Agonist activity at human beta2-AR expressed in CHOK1 cells co-expressing Galpha... | 29517238 |
| RAW264.7 | EC50 | = | 17960.0 | nM | 4.75 | Antiinflammatory activity in mouse RAW264.7 cells assessed as reduction in LPS-i... | 33213146 |
| RAW264.7 | EC50 | = | 18100.0 | nM | 4.74 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 29517238 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29517238 | 10.1021/acs.jnatprod.7b00762 | RAW264.7 | 2 |
| 29517238 | 10.1021/acs.jnatprod.7b00762 | Beta-2 adrenergic receptor | 2 |
| 31625751 | 10.1021/acs.jnatprod.9b00418 | Beta-1 adrenergic receptor | 1 |
| 31625751 | 10.1021/acs.jnatprod.9b00418 | Alpha-1B adrenergic receptor | 1 |
| 33213146 | 10.1021/acs.jmedchem.0c01195 | RAW264.7 | 1 |
| 33213146 | 10.1021/acs.jmedchem.0c01195 | Beta-2 adrenergic receptor | 1 |
| 37856864 | 10.1021/acs.jnatprod.3c00465 | Beta-1 adrenergic receptor | 1 |
| 37856864 | 10.1021/acs.jnatprod.3c00465 | Beta-2 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine