Compound Detail
CHEMBL90552
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Basic Information
| ChEMBL ID | CHEMBL90552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLZHFFKRBCZHHT-SNVBAGLBSA-N |
3
Targets
4
Activities
1
Assay Types
2
PK Parameters
11
Publications
0
Known Names
Molecular Properties
304.3
MW (Da)
2.72
ALogP
4
HBA
2
HBD
88.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 7.6 | 7.35 | 25.0 | 2 |
| RBL-1 CHEMBL614772 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 7.0 | hr | - |
| T1/2 | 7.4 | hr | Macaca mulatta |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 25.0 | nM | 7.6 | Compound was tested for in vitro inhibition against human PMNL. | 8709092 |
| RBL-1 | IC50 | = | 54.0 | nM | 7.27 | Compound was tested for in vitro inhibition against broken RBL-1. | 8709092 |
| Homo sapiens | IC50 | = | 80.0 | nM | 7.1 | Compound was tested for in vitro inhibition against human whole blood. | 8709092 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 80.0 | nM | 7.1 | 5-lipoxygenase Inhibitory activity was measured by enzyme immunoassay using huma... | 7490726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8709092 | 10.1021/jm960088k | Homo sapiens | 2 |
| 8709092 | 10.1021/jm960088k | RBL-1 | 1 |
| 8709092 | 10.1021/jm960088k | Rattus norvegicus | 1 |
| 8709092 | 10.1021/jm960088k | Mus musculus | 1 |
| 8709092 | 10.1021/jm960088k | Cavia porcellus | 1 |
| 8709092 | 10.1021/jm960088k | Unchecked | 1 |
| 8709092 | 10.1021/jm960088k | ADMET | 1 |
| 7490726 | 10.1021/jm00024a004 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 7490726 | 10.1021/jm00024a004 | Rattus norvegicus | 1 |
| 7490726 | 10.1021/jm00024a004 | Monkey | 1 |
| - | 10.1039/C2MD20317K | Rhesus monkey | 1 |
Data from ChEMBL 36 via Core Engine