Compound Detail
CHEMBL268190
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Basic Information
| ChEMBL ID | CHEMBL268190 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIRGAHOMCLTQPR-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
2.78
ALogP
4
HBA
0
HBD
23.8
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 5.35 | 5.35 | 4500.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.26 | 5.26 | 5500.0 | 1 |
| D(2) dopamine receptor CHEMBL3998 | Ki | 4.66 | 4.66 | 22000.0 | 1 |
| D(1A) dopamine receptor CHEMBL2967 | Ki | 4.21 | 4.21 | 62000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 4500.0 | nM | 5.35 | Binding affinity evaluated for the displacement of [3H]spiperone against human d... | 9990464 |
| D(3) dopamine receptor | Ki | = | 5500.0 | nM | 5.26 | Binding affinity evaluated for the displacement of [3H]-spiperone against human ... | 9990464 |
| D(2) dopamine receptor | Ki | = | 22000.0 | nM | 4.66 | Binding affinity was evaluated for the displacement of [3H]spiperone against bov... | 9990464 |
| D(1A) dopamine receptor | Ki | = | 62000.0 | nM | 4.21 | 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