Compound Detail
CHEMBL93428
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Basic Information
| ChEMBL ID | CHEMBL93428 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJPANQWIZQHGMJ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
223.3
MW (Da)
2.22
ALogP
4
HBA
1
HBD
42.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.24 | 6.16 | 574.0 | 3 |
| D(1A) dopamine receptor CHEMBL265 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 574.0 | nM | 6.24 | Binding affinity towards dopamine receptor D2 in rat striatal membrane using [3H... | 1680195 |
| D(2) dopamine receptor | IC50 | = | 596.0 | nM | 6.22 | Inhibition of [3H]N-propylnorapomorphine binding to Dopamine receptor D2 of rat ... | 1967314 |
| D(2) dopamine receptor | IC50 | = | 958.0 | nM | 6.02 | Inhibition of [3H]haloperidol binding for Dopamine receptor D2 in rat striatal m... | 1967314 |
| D(1A) dopamine receptor | IC50 | = | 10000.0 | nM | 5.0 | In vitro binding affinity towards dopamine receptor D1 in rat striatal membrane ... | 1680195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1967314 | 10.1021/jm00163a051 | Rattus norvegicus | 6 |
| 1680195 | 10.1021/jm00113a010 | Rattus norvegicus | 3 |
| 1967314 | 10.1021/jm00163a051 | D(2) dopamine receptor | 2 |
| 1680195 | 10.1021/jm00113a010 | D(2) dopamine receptor | 1 |
| 1680195 | 10.1021/jm00113a010 | D(1A) dopamine receptor | 1 |
| 1680195 | 10.1021/jm00113a010 | Mus musculus | 1 |
| 1967314 | 10.1021/jm00163a051 | Mus musculus | 1 |
| 1967314 | 10.1021/jm00163a051 | D(1A) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine