Compound Detail
CHEMBL1203004
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Basic Information
| ChEMBL ID | CHEMBL1203004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZTBOHNYECDPSM-UHFFFAOYSA-N |
| Parent Compound | CHEMBL106305 |
| Active Moiety | CHEMBL106305 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
279.4
MW (Da)
3.78
ALogP
4
HBA
1
HBD
42.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | IC50 | 5.66 | 5.475 | 2170.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 2170.0 | nM | 5.66 | Inhibition of [3H]haloperidol binding for Dopamine receptor D2 in rat striatal m... | 1967314 |
| D(2) dopamine receptor | IC50 | = | 5132.0 | nM | 5.29 | Inhibition of [3H]N-propylnorapomorphine binding to Dopamine receptor D2 of rat ... | 1967314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1967314 | 10.1021/jm00163a051 | D(2) dopamine receptor | 2 |
| 1967314 | 10.1021/jm00163a051 | Rattus norvegicus | 2 |
| 1967314 | 10.1021/jm00163a051 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine