Compound Detail
CHEMBL1079516
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Basic Information
| ChEMBL ID | CHEMBL1079516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNLKLDDVROBECF-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
287.4
MW (Da)
1.61
ALogP
5
HBA
2
HBD
67.1
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL4468 | Ki | 8.84 | 8.84 | 1.4 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 8.82 | 8.82 | 1.5 | 1 |
| Histamine H3 receptor CHEMBL4124 | Ki | 8.17 | 8.17 | 6.8 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 7.2 | 7.2 | 63.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 1.445 | nM | 8.84 | Displacement of [3H]-histamine from rat histamine H4 receptor after 1 hr by liqu... | 20171098 |
| Histamine H4 receptor | Ki | = | 1.514 | nM | 8.82 | Displacement of [3H]-histamine from human histamine H4 receptor expressed in HEK... | 20171098 |
| Histamine H3 receptor | Ki | = | 6.761 | nM | 8.17 | Displacement of [3H]NAMH from rat histamine H3 receptor expressed in C6 cells af... | 20171098 |
| Histamine H3 receptor | Ki | = | 63.1 | nM | 7.2 | Displacement of [3H]NAMH from human histamine H3 receptor expressed in C6 cells ... | 20171098 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20171098 | 10.1016/j.bmcl.2010.01.131 | Histamine H4 receptor | 5 |
| 20171098 | 10.1016/j.bmcl.2010.01.131 | Histamine H3 receptor | 2 |
| 20171098 | 10.1016/j.bmcl.2010.01.131 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine