Compound Detail
CHEMBL268558
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Basic Information
| ChEMBL ID | CHEMBL268558 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUEAFIKCLDPEGV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
376.9
MW (Da)
4.46
ALogP
4
HBA
0
HBD
23.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 5.75 | 5.75 | 1800.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.28 | 5.28 | 5200.0 | 1 |
| D(1A) dopamine receptor CHEMBL2967 | Ki | 5.12 | 5.12 | 7600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 1800.0 | nM | 5.75 | Binding affinity evaluated for the displacement of [3H]spiperone against human d... | 9990464 |
| D(3) dopamine receptor | Ki | = | 5200.0 | nM | 5.28 | Binding affinity evaluated for the displacement of [3H]-spiperone against human ... | 9990464 |
| D(1A) dopamine receptor | Ki | = | 7600.0 | nM | 5.12 | Binding affinity was evaluated for the displacement of [3H]-SCH- 23390 against b... | 9990464 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11312915 | 10.1021/jm001055e | D(4) dopamine receptor | 1 |
| 9990464 | 10.1016/s0960-894x(98)00692-1 | D(1A) dopamine receptor | 1 |
| 9990464 | 10.1016/s0960-894x(98)00692-1 | D(2) dopamine receptor | 1 |
| 9990464 | 10.1016/s0960-894x(98)00692-1 | D(3) dopamine receptor | 1 |
| 9990464 | 10.1016/s0960-894x(98)00692-1 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine