Compound Detail
CHEMBL452512
CLAVICULINE Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL452512 |
| Name | CLAVICULINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBTOEEFERPMYTH-LBPRGKRZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
2.98
ALogP
5
HBA
2
HBD
62.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL265 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | IC50 | = | 1000.0 | nM | 6.0 | Displacement of [3H]SCH-23390 from rat dopamine D1 receptor | 17228858 |
| D(2) dopamine receptor | IC50 | = | 1500.0 | nM | 5.82 | Displacement of [3H]raclopride from rat dopamine D2 receptor | 17228858 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8676127 | 10.1021/np50124a001 | Unchecked | 2 |
| 17228858 | 10.1021/jm060959i | D(1A) dopamine receptor | 1 |
| 17228858 | 10.1021/jm060959i | D(2) dopamine receptor | 1 |
| 17228858 | 10.1021/jm060959i | Sodium-dependent dopamine transporter | 1 |
| 8676127 | 10.1021/np50124a001 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine