Compound Detail
CHEMBL296450
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Basic Information
| ChEMBL ID | CHEMBL296450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQTXNCXSCSNHGA-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
200.3
MW (Da)
2.98
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.68
Kd 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 8.68 | 8.68 | 2.1 | 1 |
| Histamine H3 receptor CHEMBL4124 | Ki | 7.92 | 7.585 | 12.0 | 2 |
| Histamine H3 receptor CHEMBL5076 | Kd | 7.6 | 7.6 | 25.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 2.1 | nM | 8.68 | Inhibition of [125I]iodoproxyfan binding to human histamine H3 receptor of CHO-K... | 11294398 |
| Histamine H3 receptor | Ki | = | 12.0 | nM | 7.92 | Inhibition of [125I]iodoproxyfan from rat histamine H3 receptor expressed in CHO... | 11294398 |
| Histamine H3 receptor | Kd | = | 25.12 | nM | 7.6 | Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptors in homoge... | 11356102 |
| Histamine H3 receptor | Ki | = | 56.0 | nM | 7.25 | In vitro Histamine H3 receptor antagonist activity in an assay with K+-evoked de... | 9873477 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11294398 | 10.1016/s0960-894x(01)00090-7 | Histamine H3 receptor | 3 |
| 9873477 | 10.1016/s0960-894x(98)00342-4 | Histamine H3 receptor | 2 |
| 11356102 | 10.1021/jm001109k | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine