Compound Detail
CHEMBL8945
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Basic Information
| ChEMBL ID | CHEMBL8945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVWKVVFFVMXULU-NSHDSACASA-N |
1
Targets
4
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
278.4
MW (Da)
1.61
ALogP
4
HBA
2
HBD
61.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.51
IC50 1 meas. best 6.5
Ki 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Kd | 7.51 | 7.51 | 31.1 | 2 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.51 | 7.51 | 31.1 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.5 | 6.5 | 315.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Kd | = | 31.1 | nM | 7.51 | Evaluated in vivo for the affinity towards Dopamine receptor D2 of rat striatal ... | 2136916 |
| D(2) dopamine receptor | Kd | = | 31.1 | nM | 7.51 | Affinity constant of compound was evaluated in rat striatum tissue preparation. | 2966245 |
| D(2) dopamine receptor | Ki | = | 31.1 | nM | 7.51 | Inhibitory constant against binding of [125I]- IBZM to rat striatal membrane | 2966245 |
| D(2) dopamine receptor | IC50 | = | 315.0 | nM | 6.5 | In vitro binding affinity at Dopamine receptor D2 in rat by displacing [3H]- spi... | 4040977 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8423592 | 10.1021/jm00054a002 | No relevant target | 3 |
| 4040977 | 10.1021/jm00147a025 | Rattus norvegicus | 2 |
| 2966245 | 10.1021/jm00400a027 | D(2) dopamine receptor | 2 |
| 4040977 | 10.1021/jm00147a025 | D(2) dopamine receptor | 1 |
| 8423592 | 10.1021/jm00054a002 | ADMET | 1 |
| 2136916 | 10.1021/jm00163a029 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine