Compound Detail
CHEMBL277113
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Basic Information
| ChEMBL ID | CHEMBL277113 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHXVMTQOYIUZHB-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
3.94
ALogP
3
HBA
0
HBD
19.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.31
Ki 1 meas. best 5.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine N-methyltransferase CHEMBL3241 | IC50 | 7.31 | 7.31 | 49.0 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 5.95 | 5.95 | 1130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine N-methyltransferase | IC50 | = | 49.0 | nM | 7.31 | Inhibition of rat kidney Histamine N-Methyltransferase (HMT) activity determined... | 11855993 |
| Histamine H3 receptor | Ki | = | 1130.0 | nM | 5.95 | Affinity for displacement of [125I]iodoproxyfan from human histamine H3 receptor... | 11855993 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11855993 | 10.1021/jm0110845 | Histamine H3 receptor | 1 |
| 11855993 | 10.1021/jm0110845 | Histamine N-methyltransferase | 1 |
Data from ChEMBL 36 via Core Engine