Compound Detail
CHEMBL219185
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Basic Information
| ChEMBL ID | CHEMBL219185 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJHQEWHCSIFEMP-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
7
PK Parameters
15
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
2.45
ALogP
3
HBA
1
HBD
59.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.5
Ki 1 meas. best 6.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | EC50 | 7.5 | 7.5 | 32.0 | 1 |
| D(4) dopamine receptor CHEMBL3361 | EC50 | 7.24 | 7.24 | 57.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.53 | 6.53 | 294.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 61.0 | % | Rattus norvegicus |
| F | 11.0 | % | Rattus norvegicus |
| F | 11.0 | % | Rattus norvegicus |
| F | 70.0 | % | Canis lupus familiaris |
| F | 28.0 | % | Macaca mulatta |
| T1/2 | 0.5 | hr | Rattus norvegicus |
| T1/2 | 0.3 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | EC50 | = | 32.0 | nM | 7.5 | Agonist activity at human D4.4 receptor in HEK293 cells coexpressing G-alpha-qo5... | 17149874 |
| D(4) dopamine receptor | EC50 | = | 57.0 | nM | 7.24 | Agonist activity at rat D4 receptor in HEK293 cells coexpressing G-alpha-qo5 by ... | 17149874 |
| D(4) dopamine receptor | Ki | = | 294.0 | nM | 6.53 | Displacement of [3H]A369508 from human D4 receptor expressed in HEK293 cell memb... | 17149874 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17149874 | 10.1021/jm060662k | D(4) dopamine receptor | 6 |
| 17149874 | 10.1021/jm060662k | Rattus norvegicus | 6 |
| 17149874 | 10.1021/jm060662k | D(2) dopamine receptor | 5 |
| 17149874 | 10.1021/jm060662k | Mustela putorius furo | 2 |
| 17149874 | 10.1021/jm060662k | D(3) dopamine receptor | 1 |
| 17149874 | 10.1021/jm060662k | Phosphodiesterase 1 | 1 |
| 17149874 | 10.1021/jm060662k | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 17149874 | 10.1021/jm060662k | Phosphodiesterase 3 | 1 |
| 17149874 | 10.1021/jm060662k | Phosphodiesterase 4 | 1 |
| 17149874 | 10.1021/jm060662k | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 17149874 | 10.1021/jm060662k | Phosphodiesterase 6 | 1 |
| 17149874 | 10.1021/jm060662k | Canis familiaris | 1 |
| 17149874 | 10.1021/jm060662k | Rhesus monkey | 1 |
| 17149874 | 10.1021/jm060662k | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 17149874 | 10.1021/jm060662k | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine