Compound Detail
CHEMBL453291
COCLAURINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL453291 |
| Name | COCLAURINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVVKXRQZSRUVPY-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
2.54
ALogP
4
HBA
3
HBD
61.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.76
Ki 1 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 5.97 | 5.97 | 1071.5 | 1 |
| Aorta CHEMBL613606 | IC50 | 4.76 | 4.76 | 17378.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 1071.52 | nM | 5.97 | Displacement of [3H]prazosin from alpha1 adrenergic receptor in Wistar rat cereb... | 12880313 |
| Aorta | IC50 | = | 17378.01 | nM | 4.76 | Vasorelaxant activity against noradrenaline-induced contraction in Wistar rat th... | 12880313 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8778245 | 10.1021/np960354x | Platelet | 4 |
| 8778245 | 10.1021/np960354x | Aorta | 3 |
| 12880313 | 10.1021/np030022+ | Aorta | 2 |
| 12880313 | 10.1021/np030022+ | Adrenergic receptor alpha-1 | 1 |
| 12880313 | 10.1021/np030022+ | Voltage-gated L-type calcium channel | 1 |
Data from ChEMBL 36 via Core Engine