Compound Detail
CHEMBL69414
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Basic Information
| ChEMBL ID | CHEMBL69414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COYBCQFIVNQGKW-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
249.3
MW (Da)
2.82
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine receptor CHEMBL2093868 | IC50 | 7.88 | 6.99 | 13.3 | 2 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.88 | 6.91 | 13.3 | 3 |
| Nucleic Acid CHEMBL345 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 13.3 | nM | 7.88 | Affinity for [3H]N-propylnorapomorphine (NPA) Dopamine receptor D2 | 1967318 |
| Dopamine receptor | IC50 | = | 13.3 | nM | 7.88 | In vitro affinity to dopamine receptor using [3H]NPAD as radioligand in rat stri... | 3346882 |
| D(2) dopamine receptor | IC50 | = | 180.0 | nM | 6.75 | Potency to displace the specific in vitro binding of [3H]DP-5,6-ADTN to rat stri... | 2903247 |
| D(2) dopamine receptor | IC50 | = | 800.0 | nM | 6.1 | Concentration inhibiting specific binding of [3H]haloperidol to Dopamine recepto... | 1967318 |
| Dopamine receptor | IC50 | = | 800.0 | nM | 6.1 | In vitro affinity to dopamine receptor using [3H]HPD as radioligand in rat stria... | 3346882 |
| Nucleic Acid | IC50 | = | 1400.0 | nM | 5.85 | Potency to displace the specific in vitro binding of [3H]N-0437 to calf striatal... | 2903247 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1967318 | 10.1021/jm00163a068 | Rattus norvegicus | 4 |
| 2903247 | 10.1021/jm00119a020 | No relevant target | 3 |
| 3346882 | 10.1021/jm00398a032 | Rattus norvegicus | 3 |
| 1967318 | 10.1021/jm00163a068 | D(2) dopamine receptor | 2 |
| 1967318 | 10.1021/jm00163a068 | Mus musculus | 2 |
| 3346882 | 10.1021/jm00398a032 | Dopamine receptor | 2 |
| 2903247 | 10.1021/jm00119a020 | D(2) dopamine receptor | 1 |
| 2903247 | 10.1021/jm00119a020 | Nucleic Acid | 1 |
| 3346882 | 10.1021/jm00398a032 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine