Molecule Details
| InChIKey | PIEUQSKUWLMALL-YABMTYFHSA-N |
|---|---|
| Compound Name | Micafungin |
| Canonical SMILES | CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)O)c5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)no2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.52 |
| Source | BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01141 |
|---|---|
| Drug Name | Micafungin |
| CAS Number | 235114-32-6 |
| Groups | approved investigational |
| ATC Codes | J02AX05 |
| Description | Micafungin is an antifungal drug. It belongs to the antifungal class of compounds known as echinocandins and exerts its effect by inhibiting the synthesis of 1,3-beta-D-glucan, an integral component of the fungal cell wall. |
Categories: Amino Acids, Peptides, and Proteins Anti-Infective Agents Antifungal Agents Antiinfectives for Systemic Use Antimycotics for Systemic Use COMT Substrates Echinocandin Antifungal Echinocandins Lipids Lipopeptides Peptides Peptides, Cyclic
Cross-references: BindingDB: 50478216 ChEBI: 600520 CHEMBL457547 ChemSpider: 419105 Drugs Product Database (DPD): 20128 C15819 D02465 PharmGKB: PA164781026 PubChem:477468 PubChem:46508208 RxCUI: 325887 Therapeutic Targets Database: DAP000548 Wikipedia: Micafungin
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P87204 | FKS | Aspergillus fumigatus | Pathogen | PF14288 PF23605 PF02364 | 7.9 | IC50 | BindingDB |
| O13383 | CaFKS1 | Candida albicans | Pathogen | PF23605 PF02364 | 7.8 | IC50 | BindingDB |
| O13423 | GSL2 | Candida albicans | Pathogen | PF14288 PF23605 PF02364 | 7.6 | IC50 | BindingDB |
| B6S6L8 | FKS1 | Candida tropicalis | Pathogen | PF14288 PF23605 PF02364 | 7.2 | IC50 | BindingDB |
| F5BCZ9 | FKS2 | Candida glabrata | Pathogen | PF14288 PF23605 PF02364 | 7.1 | IC50 | BindingDB |