Compound Detail
CHEMBL4068924
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 | CHEMBL4068924 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGMLOQOHAYKVJN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
356.9
MW (Da)
3.03
ALogP
4
HBA
2
HBD
55.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.44 | 8.44 | 3.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 3.6 | nM | 8.44 | Inhibition of human dopamine D4.2 receptor | 28489950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28489950 | 10.1021/acs.jmedchem.7b00151 | D(3) dopamine receptor | 1 |
| 28489950 | 10.1021/acs.jmedchem.7b00151 | 5-hydroxytryptamine receptor 1A | 1 |
| 28489950 | 10.1021/acs.jmedchem.7b00151 | 5-hydroxytryptamine receptor 2A | 1 |
| 28489950 | 10.1021/acs.jmedchem.7b00151 | Alpha-2A adrenergic receptor | 1 |
| 28489950 | 10.1021/acs.jmedchem.7b00151 | Unchecked | 1 |
| 33422983 | 10.1016/j.ejmech.2020.113141 | D(4) dopamine receptor | 1 |
| 33422983 | 10.1016/j.ejmech.2020.113141 | D(2) dopamine receptor | 1 |
| 33422983 | 10.1016/j.ejmech.2020.113141 | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine