Compound Detail
CHEMBL322832
LEXIPAFANT 🧪 Phase II
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🧪 Phase II
CCOC(=O)[C@H](CC(C)C)N(C)S(=O)(=O)c1ccc(Cn2c(C)nc3cnccc32)cc1
Basic Information
| ChEMBL ID | CHEMBL322832 |
| Name | LEXIPAFANT |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | AQRXDPFOYJSPMP-QFIPXVFZSA-N |
3
Targets
4
Activities
2
Assay Types
2
PK Parameters
10
Publications
4
Known Names
Molecular Properties
458.6
MW (Da)
3.39
ALogP
7
HBA
0
HBD
94.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 2 meas. best 8.44
Ki 2 meas. best 9.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL250 | Ki | 9.42 | 9.42 | 0.4 | 1 |
| Platelet-activating factor receptor CHEMBL5136 | Ki | 9.4 | 9.4 | 0.4 | 1 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 8.44 | 8.44 | 3.6 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | - | % | Rattus norvegicus |
| F | - | % | Primates |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | Ki | = | 0.38 | nM | 9.42 | The compound was evaluated for its binding affinity against PAF receptor in huma... | 9438024 |
| Platelet-activating factor receptor | Ki | = | 0.4 | nM | 9.4 | The compound was evaluated for its binding affinity against PAF receptor in rabb... | 9438024 |
| Oryctolagus cuniculus | IC50 | = | 3.6 | nM | 8.44 | Concentration required to inhibit PAF-induced maximum aggregation by 50% | 11520209 |
| Oryctolagus cuniculus | IC50 | = | 3.6 | nM | 8.44 | Concentration required to inhibit PAF-induced maximum platelet aggregation in ra... | 8558517 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8558517 | 10.1021/jm950555i | Mus musculus | 5 |
| 9438024 | 10.1021/jm970389+ | ADMET | 3 |
| 9438024 | 10.1021/jm970389+ | Platelet-activating factor receptor | 2 |
| 9438024 | 10.1021/jm970389+ | Rattus norvegicus | 2 |
| 9438024 | 10.1021/jm970389+ | Cavia porcellus | 2 |
| 8558517 | 10.1021/jm950555i | Canis familiaris | 2 |
| 11520209 | 10.1021/jm010852p | Oryctolagus cuniculus | 1 |
| 11520209 | 10.1021/jm010852p | Rattus norvegicus | 1 |
| 8558517 | 10.1021/jm950555i | Oryctolagus cuniculus | 1 |
| 8558517 | 10.1021/jm950555i | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine