Compound Detail
CHEMBL158619
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Basic Information
| ChEMBL ID | CHEMBL158619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDPKQOKIGHGYQM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
393.9
MW (Da)
5.06
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.51
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| Mus musculus CHEMBL375 | IC50 | 5.06 | 5.06 | 8800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 230.0 | nM | 6.64 | Inhibition of histamine release in rat mast cells | 10052971 |
| Mus musculus | IC50 | = | 8800.0 | nM | 5.06 | Compound was evaluated for IL 5 production inhibition from mice splenocytes stim... | 10052971 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10052971 | 10.1021/jm981079+ | Mus musculus | 4 |
| 10052971 | 10.1021/jm981079+ | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine