Compound Detail
CHEMBL49665
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 | CHEMBL49665 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNEHDPGHWOYCCS-GUDVDZBRSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
287.4
MW (Da)
3.95
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine receptor CHEMBL2093868 | IC50 | 5.85 | 5.3217 | 1400.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dopamine receptor | IC50 | = | 1400.0 | nM | 5.85 | Concentration inhibiting the specific binding of [3H]spiroperidol by 50% | 6198519 |
| Dopamine receptor | IC50 | = | 2540.0 | nM | 5.59 | Concentration inhibiting the specific binding of [3H]spiroperidol by 50% | 6198519 |
| Dopamine receptor | IC50 | = | 5400.0 | nM | 5.27 | Concentration inhibiting the specific binding of [3H]naloxone by 50% in the abse... | 6198519 |
| Dopamine receptor | IC50 | = | 6800.0 | nM | 5.17 | Concentration inhibiting the specific binding of [3H]naloxone by 50% in the pres... | 6198519 |
| Dopamine receptor | IC50 | = | 8000.0 | nM | 5.1 | Concentration inhibiting the specific binding of [3H]naloxone by 50% in the abse... | 6198519 |
| Dopamine receptor | IC50 | = | 11300.0 | nM | 4.95 | Concentration inhibiting the specific binding of [3H]naloxone by 50% in the pres... | 6198519 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6198519 | 10.1021/jm00368a011 | Dopamine receptor | 6 |
| 6198519 | 10.1021/jm00368a011 | Mus musculus | 2 |
Data from ChEMBL 36 via Core Engine