Compound Detail
CHEMBL4062553
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Basic Information
| ChEMBL ID | CHEMBL4062553 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKUFOSYLIYVIGY-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
477.7
MW (Da)
4.97
ALogP
7
HBA
0
HBD
46.4
PSA (Ų)
0.34
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 7.71 | 7.71 | 19.6 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.14 | 6.14 | 724.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.21 | 5.21 | 6168.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 19.6 | nM | 7.71 | Displacement of [125I]ABN from human dopamine D3 receptor expressed in HEK293 ce... | 29125762 |
| D(3) dopamine receptor | Ki | = | 19.6 | nM | 7.71 | Displacement of [125I]IABN from recombinant human D3 receptor stably expressed i... | 31021617 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 724.0 | nM | 6.14 | Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cel... | 29125762 |
| D(2) dopamine receptor | Ki | = | 6168.0 | nM | 5.21 | Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK2... | 29125762 |
| D(2) dopamine receptor | Ki | = | 6168.0 | nM | 5.21 | Displacement of [125I]IABN from recombinant human D2 long receptor stably expres... | 31021617 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29125762 | 10.1021/acs.jmedchem.7b01248 | D(3) dopamine receptor | 3 |
| 29125762 | 10.1021/acs.jmedchem.7b01248 | D(2) dopamine receptor | 1 |
| 29125762 | 10.1021/acs.jmedchem.7b01248 | Unchecked | 1 |
| 29125762 | 10.1021/acs.jmedchem.7b01248 | 5-hydroxytryptamine receptor 1A | 1 |
| 29125762 | 10.1021/acs.jmedchem.7b01248 | 5-hydroxytryptamine receptor 2A | 1 |
| 29125762 | 10.1021/acs.jmedchem.7b01248 | 5-hydroxytryptamine receptor 2C | 1 |
| 31021617 | 10.1021/acs.jmedchem.9b00412 | D(3) dopamine receptor | 1 |
| 31021617 | 10.1021/acs.jmedchem.9b00412 | D(2) dopamine receptor | 1 |
| 31021617 | 10.1021/acs.jmedchem.9b00412 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine