Compound Detail
CHEMBL81859
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Basic Information
| ChEMBL ID | CHEMBL81859 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMMPYSSGZCXFRL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
4.17
ALogP
5
HBA
2
HBD
96.7
PSA (Ų)
0.37
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H2 receptor CHEMBL2882 | Kd | 6.75 | 6.75 | 177.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H2 receptor | Kd | = | 177.83 | nM | 6.75 | Compound was evaluated in vitro inhibitory activity against histamine H2 recepto... | 1352351 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1352351 | 10.1021/jm00091a012 | Rattus norvegicus | 3 |
| 1352351 | 10.1021/jm00091a012 | Histamine H2 receptor | 1 |
Data from ChEMBL 36 via Core Engine