Compound Detail
CHEMBL260720
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Basic Information
| ChEMBL ID | CHEMBL260720 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MACSPWGTMJSVNZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
264.3
MW (Da)
3.19
ALogP
2
HBA
2
HBD
57.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | EC50 | 6.2 | 6.2 | 634.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | EC50 | 6.04 | 6.04 | 902.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | EC50 | = | 3.0 | nM | 8.52 | Agonist activity at human cloned adrenergic alpha-1A receptor expressed in CHO c... | 18400496 |
| Alpha-1D adrenergic receptor | EC50 | = | 634.0 | nM | 6.2 | Agonist activity at human cloned adrenergic Alpha-1D receptor expressed in CHO c... | 18400496 |
| Alpha-1B adrenergic receptor | EC50 | = | 902.0 | nM | 6.04 | Agonist activity at human cloned adrenergic alpha-1B receptor expressed in CHO c... | 18400496 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18400496 | 10.1016/j.bmcl.2008.03.070 | Alpha-1A adrenergic receptor | 2 |
| 18400496 | 10.1016/j.bmcl.2008.03.070 | Alpha-1B adrenergic receptor | 2 |
| 18400496 | 10.1016/j.bmcl.2008.03.070 | Alpha-1D adrenergic receptor | 2 |
| 18400496 | 10.1016/j.bmcl.2008.03.070 | Alpha-2A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine