Compound Detail
CHEMBL295712
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Basic Information
| ChEMBL ID | CHEMBL295712 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYWWKZIFXRGVMR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
476.6
MW (Da)
4.92
ALogP
4
HBA
1
HBD
38.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine receptor CHEMBL2093868 | IC50 | 9.21 | 9.21 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dopamine receptor | IC50 | = | 0.61 | nM | 9.21 | Inhibition of [3H]haloperidol binding to dopamine receptors in rat striatal memb... | 2859371 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2866248 | 10.1021/jm00150a011 | Rattus norvegicus | 4 |
| 2866248 | 10.1021/jm00150a011 | Unchecked | 2 |
| 2859371 | 10.1021/jm50001a013 | Dopamine receptor | 2 |
| 2859371 | 10.1021/jm50001a013 | Rattus norvegicus | 2 |
| 2866248 | 10.1021/jm00150a011 | Dopamine receptor | 1 |
| 2866248 | 10.1021/jm00150a011 | Mus musculus | 1 |
| 2866248 | 10.1021/jm00150a011 | NON-PROTEIN TARGET | 1 |
| 2866248 | 10.1021/jm00150a011 | Muscarinic acetylcholine receptor | 1 |
| 2866248 | 10.1021/jm00150a011 | Adrenergic receptor alpha-1 | 1 |
| 2859371 | 10.1021/jm50001a013 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine