Compound Detail
CHEMBL460402
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Basic Information
| ChEMBL ID | CHEMBL460402 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFBYKWKCUIKCPG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
508.7
MW (Da)
6.63
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.30
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 8.46 | 8.46 | 3.5 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.61 | 6.61 | 243.0 | 1 |
| Histamine H1 receptor CHEMBL231 | Ki | 6.16 | 6.16 | 686.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 3.5 | nM | 8.46 | Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in... | 19091563 |
| D(3) dopamine receptor | Ki | = | 243.0 | nM | 6.61 | Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO c... | 19091563 |
| Histamine H1 receptor | Ki | = | 686.0 | nM | 6.16 | Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO... | 19091563 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19091563 | 10.1016/j.bmcl.2008.09.012 | Histamine H3 receptor | 1 |
| 19091563 | 10.1016/j.bmcl.2008.09.012 | Histamine H1 receptor | 1 |
| 19091563 | 10.1016/j.bmcl.2008.09.012 | D(1A) dopamine receptor | 1 |
| 19091563 | 10.1016/j.bmcl.2008.09.012 | D(1B) dopamine receptor | 1 |
| 19091563 | 10.1016/j.bmcl.2008.09.012 | D(2) dopamine receptor | 1 |
| 19091563 | 10.1016/j.bmcl.2008.09.012 | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine