Compound Detail
CHEMBL3752085
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Basic Information
| ChEMBL ID | CHEMBL3752085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIACEGZKGSHPHM-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
359.5
MW (Da)
3.51
ALogP
5
HBA
1
HBD
44.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.02
EC50 1 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | EC50 | 6.04 | 6.04 | 912.0 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 6.02 | 6.02 | 955.0 | 1 |
| Histamine H1 receptor CHEMBL231 | Ki | 5.95 | 5.95 | 1122.0 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
| Histamine H2 receptor CHEMBL1941 | Ki | 4.99 | 4.99 | 10232.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | EC50 | = | 912.01 | nM | 6.04 | Antagonist activity at human histamine 4 receptor expressed in Sf9 cell membrane... | 26718844 |
| Histamine H4 receptor | Ki | = | 954.99 | nM | 6.02 | Displacement of [3H]histamine from human histamine 4 receptor expressed in Sf9 c... | 26718844 |
| Histamine H1 receptor | Ki | = | 1122.02 | nM | 5.95 | Displacement of [3H]mepyramine from human histamine 1 receptor expressed in Sf9 ... | 26718844 |
| Histamine H3 receptor | Ki | = | 2511.89 | nM | 5.6 | Displacement of [3H]Nalpha-methylhistamine from human histamine 3 receptor expre... | 26718844 |
| Histamine H2 receptor | Ki | = | 10232.93 | nM | 4.99 | Displacement of [3H]UR-DE257 from human histamine 2 receptor expressed in Sf9 ce... | 26718844 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26718844 | 10.1016/j.bmcl.2015.12.035 | Histamine H4 receptor | 3 |
| 26718844 | 10.1016/j.bmcl.2015.12.035 | Histamine H1 receptor | 1 |
| 26718844 | 10.1016/j.bmcl.2015.12.035 | Histamine H2 receptor | 1 |
| 26718844 | 10.1016/j.bmcl.2015.12.035 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine