Compound Detail
CHEMBL119555
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 | CHEMBL119555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODIYTWXTFQEXKZ-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
270.3
MW (Da)
2.26
ALogP
4
HBA
3
HBD
69.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.86
EC50 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.86 | 5.86 | 1390.0 | 1 |
| cyclic AMP phosphoprotein CHEMBL2170 | EC50 | 5.54 | 5.54 | 2880.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 4.04 | 4.04 | 92000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1390.0 | nM | 5.86 | Concentration that produces 50 % displacement of specific [3H]clonidine binding ... | 6317860 |
| cyclic AMP phosphoprotein | EC50 | = | 2880.0 | nM | 5.54 | Effective concentration that gives maximal stimulation of cyclic AMP production ... | 6317860 |
| D(2) dopamine receptor | IC50 | = | 92000.0 | nM | 4.04 | Concentration that produces 50 % displacement of specific [3H]spiroperidol bindi... | 6317860 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6317860 | 10.1021/jm00367a006 | cyclic AMP phosphoprotein | 1 |
| 6317860 | 10.1021/jm00367a006 | D(2) dopamine receptor | 1 |
| 6317860 | 10.1021/jm00367a006 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine