Compound Detail
CHEMBL4637657
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Basic Information
| ChEMBL ID | CHEMBL4637657 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COBNLIJYZJNVGX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
414.9
MW (Da)
3.52
ALogP
5
HBA
2
HBD
82.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL231 | Kd | 7.29 | 7.29 | 51.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 21.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | Kd | = | 51.0 | nM | 7.29 | Binding affinity to human H1 histamine receptor expressed in CHO cells after 1 h... | 32462865 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32462865 | 10.1021/acs.jmedchem.0c00483 | ADMET | 3 |
| 32462865 | 10.1021/acs.jmedchem.0c00483 | Histamine H1 receptor | 1 |
| 32462865 | 10.1021/acs.jmedchem.0c00483 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine