Compound Detail
CHEMBL609131
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Basic Information
| ChEMBL ID | CHEMBL609131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJUYQWIDNIAHIZ-GOSISDBHSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
269.4
MW (Da)
3.66
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.7
Ki 1 meas. best 7.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL3943 | Kd | 8.7 | 8.7 | 2.0 | 1 |
| Histamine H1 receptor CHEMBL3943 | Ki | 7.91 | 7.91 | 12.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | Kd | = | 1.995 | nM | 8.7 | Potency against histamine H1 receptor on guinea pig ileum | 7650688 |
| Histamine H1 receptor | Ki | = | 12.3 | nM | 7.91 | Inhibition of [3H]mepyramine binding with histamine H1 receptor in guinea pig ce... | 7650688 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7650688 | 10.1021/jm00017a019 | Histamine H1 receptor | 2 |
Data from ChEMBL 36 via Core Engine