Compound Detail
CHEMBL12507
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Basic Information
| ChEMBL ID | CHEMBL12507 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMZWFUNEODYUEN-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
340.8
MW (Da)
5.14
ALogP
2
HBA
0
HBD
8.2
PSA (Ų)
0.63
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 9.28 | 9.28 | 0.5 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 8.96 | 8.96 | 1.1 | 2 |
| D(1A) dopamine receptor CHEMBL265 | IC50 | 8.01 | 8.01 | 9.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | IC50 | = | 0.53 | nM | 9.28 | Inhibition of [3H]ketanserin binding to dopamine 5-hydroxytryptamine 2 receptor | 1348090 |
| D(2) dopamine receptor | IC50 | = | 1.1 | nM | 8.96 | Tested for the inhibition of [3H]spiperone binding to dopamine D2 receptor | 1348090 |
| D(2) dopamine receptor | IC50 | = | 1.1 | nM | 8.96 | Binding affinity towardst dopamine D2 receptor by displacement of [3H]-SPI radio... | 8411003 |
| D(1A) dopamine receptor | IC50 | = | 9.8 | nM | 8.01 | Binding affinity towards dopamine receptor D1 by displacement of [3H]-SCH- radio... | 8411003 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1348090 | 10.1021/jm00084a014 | D(2) dopamine receptor | 3 |
| 1348090 | 10.1021/jm00084a014 | Rattus norvegicus | 2 |
| 1348090 | 10.1021/jm00084a014 | Serotonin 2 (5-HT2) receptor | 1 |
| 8411003 | 10.1021/jm00072a006 | D(1A) dopamine receptor | 1 |
| 8411003 | 10.1021/jm00072a006 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine