Molecule Details
| InChIKey | MBBCVAKAJPKAKM-UHFFFAOYSA-N |
|---|---|
| Canonical SMILES | O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.7 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08827 |
|---|---|
| Drug Name | Lomitapide |
| CAS Number | 182431-12-5 |
| Groups | approved investigational |
| ATC Codes | C10AX12 |
| Description | Lomitapide is a microsomal triglyceride transfer protein (MTP) inhibitor used in homozygous familial hypercholesterolemia (HoFH) patients. It is marketed under the name Juxtapid (R). |
Categories: Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (weak) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates (strength unknown) Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Hepatotoxic Agents Heterocyclic Compounds, Fused-Ring Hypolipidemic Agents Hypolipidemic Agents Indicated for Hyperlipidemia Lipid Modifying Agents Lipid Modifying Agents, Plain Microsomal Triglyceride Transfer Protein Inhibitor Microsomal Triglyceride Transfer Protein Inhibitors Narrow Therapeutic Index Drugs Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia P-glycoprotein inhibitors
Cross-references: BindingDB: 50098320 ChEBI: 72297 CHEMBL354541 ChemSpider: 8028764 Drugs Product Database (DPD): 22241 D09637 PharmGKB: PA166114922 PubChem:9853053 PubChem:175427108 RxCUI: 1364479 Wikipedia: Lomitapide ZINC: ZINC000027990463
Target Activities (2)
DrugBank Target Actions (4)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P55157 | MTTP | Microsomal triglyceride transfer protein large subunit | antagonist | targets |
| P55157 | MTTP | Microsomal triglyceride transfer protein large subunit | inhibitor | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |