Compound Detail
CHEMBL20147
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Basic Information
| ChEMBL ID | CHEMBL20147 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMRGPDJHHRRXTP-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
414.2
MW (Da)
3.13
ALogP
4
HBA
1
HBD
64.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 6.7 | 6.6433 | 199.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 199.53 | nM | 6.7 | Binding affinity towards Histamine H3 receptor on synaptosomes from rat cerebral... | 8632428 |
| Histamine H3 receptor | Ki | = | 232.0 | nM | 6.63 | In vitro antagonistic activity tested against Histamine H3 receptor on synaptoso... | 8632428 |
| Histamine H3 receptor | Ki | = | 251.19 | nM | 6.6 | In vitro antagonistic activity tested against Histamine H3 receptor on synaptoso... | 8632428 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8632428 | 10.1021/jm9504767 | Histamine H3 receptor | 3 |
| 8632428 | 10.1021/jm9504767 | Histamine H2 receptor | 1 |
| 8632428 | 10.1021/jm9504767 | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine