Compound Detail
CHEMBL159590
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C/C(=N\OC(c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCC1)C(=O)[O-].[Na+]
Basic Information
| ChEMBL ID | CHEMBL159590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDVPFTHPCRNQRN-JBQVUESZSA-M |
| Parent Compound | CHEMBL159721 |
| Active Moiety | CHEMBL159721 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
5.91
ALogP
5
HBA
1
HBD
81.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 4.14 | 4.14 | 72000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 72000.0 | nM | 4.14 | Inhibition of Calcium Ionophore (A-23187)-stimulated LTB4 formation in Human who... | 10691695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10691695 | 10.1021/jm9904102 | Rattus norvegicus | 3 |
| 10691695 | 10.1021/jm9904102 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 10691695 | 10.1021/jm9904102 | Homo sapiens | 1 |
| 10691695 | 10.1021/jm9904102 | ADMET | 1 |
| 10691695 | 10.1021/jm9904102 | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine