Compound Detail
CHEMBL313489
QUIFLAPON SODIUM Enter ChEMBL ID:
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CC(C)(C)Sc1c(CC(C)(C)C(=O)[O-])n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12.[Na+]
Basic Information
| ChEMBL ID | CHEMBL313489 |
| Name | QUIFLAPON SODIUM |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPURUCMVRRNPHJ-UHFFFAOYSA-M |
| Parent Compound | CHEMBL16596 |
| Active Moiety | CHEMBL16596 |
6
Targets
16
Activities
1
Assay Types
1
PK Parameters
8
Publications
2
Known Names
Molecular Properties
587.2
MW (Da)
9.01
ALogP
5
HBA
1
HBD
64.3
PSA (Ų)
0.17
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 16 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Arachidonate 5-lipoxygenase-activating protein CHEMBL4550 | IC50 | 9.3 | 7.94 | 0.5 | 9 |
| Rattus norvegicus CHEMBL376 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 8.52 | 7.405 | 3.0 | 2 |
| RBL-1 CHEMBL614772 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Arachidonate 5-lipoxygenase-activating protein CHEMBL1921661 | IC50 | 8.0 | 7.465 | 10.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 6.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22059882 | 10.1021/jm2008369 | Arachidonate 5-lipoxygenase-activating protein | 11 |
| 8709092 | 10.1021/jm960088k | Homo sapiens | 2 |
| 8709092 | 10.1021/jm960088k | Unchecked | 2 |
| 8709092 | 10.1021/jm960088k | RBL-1 | 1 |
| 8709092 | 10.1021/jm960088k | Rattus norvegicus | 1 |
| 8709092 | 10.1021/jm960088k | ADMET | 1 |
| 10691695 | 10.1021/jm9904102 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 10691695 | 10.1021/jm9904102 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine