Compound Detail
CHEMBL4633688
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Cc1cc(OCCCNC(=O)CCCCCNC(=O)COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6ccc[nH]6)n5[B-]4(F)F)C=C3)cc2)ccc1-c1nc2c(C)c(F)ccc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL4633688 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFNMAFLNVMGRSW-JLHYYAGUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
841.7
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 6.3 | 6.3 | 501.2 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 5.74 | 5.74 | 1819.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 501.19 | nM | 6.3 | Displacement of [3H]-UR-PI294 from Galphai2/Gbeta1gamma2-coupled human recombina... | 32420741 |
| Histamine H4 receptor | Ki | = | 1819.7 | nM | 5.74 | Displacement of [3H]-histamine from Galphai2/Gbeta1gamma2-coupled human recombin... | 32420741 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32420741 | 10.1021/acs.jmedchem.0c00160 | Histamine H4 receptor | 1 |
| 32420741 | 10.1021/acs.jmedchem.0c00160 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine