Compound Detail
CHEMBL56843
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Basic Information
| ChEMBL ID | CHEMBL56843 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOPOBAVSYNADGN-UHFFFAOYSA-N |
3
Targets
4
Activities
3
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
4.67
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.16
Kd 1 meas. best 8.1
Ki 1 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 8.11 | 8.11 | 7.8 | 1 |
| D(2) dopamine receptor CHEMBL217 | Kd | 8.1 | 8.1 | 7.9 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.16 | 7.16 | 69.9 | 1 |
| D(1A) dopamine receptor CHEMBL265 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 8.99 | 10'7/M/min | Homo sapiens |
| T1/2 | 0.0165 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 7.762 | nM | 8.11 | Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell mem... | 31580666 |
| D(2) dopamine receptor | Kd | = | 7.943 | nM | 8.1 | Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell mem... | 31580666 |
| D(2) dopamine receptor | IC50 | = | 69.91 | nM | 7.16 | Ability to inhibit the specific binding of [3H]- spiroperidol to Dopamine recept... | 2888899 |
| D(1A) dopamine receptor | IC50 | = | 7500.0 | nM | 5.12 | Inhibitory concentration against rat striatal dopamine (D1) sensitive adenylate ... | 2888899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31580666 | 10.1021/acs.jmedchem.9b00864 | D(2) dopamine receptor | 7 |
| 2888899 | 10.1021/jm00393a037 | Opioid receptor | 1 |
| 2888899 | 10.1021/jm00393a037 | Mus musculus | 1 |
| 2888899 | 10.1021/jm00393a037 | D(2) dopamine receptor | 1 |
| 2888899 | 10.1021/jm00393a037 | D(1A) dopamine receptor | 1 |
| 2888899 | 10.1021/jm00393a037 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine