Compound Detail
CHEMBL74989
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Basic Information
| ChEMBL ID | CHEMBL74989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFICSTYWKFTKSE-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
468.0
MW (Da)
3.98
ALogP
8
HBA
1
HBD
87.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.64
Kd 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL3943 | Kd | 8.4 | 8.4 | 4.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 5.64 | 5.32 | 2300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | Kd | = | 3.981 | nM | 8.4 | H1-antihistamine activity in guinea pig ileum | 2431143 |
| Rattus norvegicus | IC50 | = | 2300.0 | nM | 5.64 | Compound was tested for the inhibition of release of histamine in rat passive pe... | 2431143 |
| Rattus norvegicus | IC50 | = | 10000.0 | nM | 5.0 | Compound was tested for the inhibition of release of extravasation in rat passiv... | 2431143 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2431143 | 10.1021/jm00161a022 | Rattus norvegicus | 2 |
| 2431143 | 10.1021/jm00161a022 | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine