Compound Detail
CHEMBL264241
ANIDULAFUNGIN 💊 Approved Drug
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💊 Approved Drug
CCCCCOc1ccc(-c2ccc(-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](C)O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)cc5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL264241 |
| Name | ANIDULAFUNGIN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | JHVAMHSQVVQIOT-MFAJLEFUSA-N |
| Therapeutic | ✓ Yes |
2
Targets
2
Activities
1
Assay Types
30
PK Parameters
20
Publications
12
Known Names
12
Indications
1
Mechanisms
Molecular Properties
1140.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2006 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| 1,3-beta-glucan synthase inhibitor | INHIBITOR | 1,3-beta-glucan synthase | ✓ | ✓ |
Indications
Candidemia Candidiasis Peritonitis Aspergillosis Candidiasis, Invasive Neuroaspergillosis Leukemia Leukemia, Myeloid, Acute Myelodysplastic Syndromes Neoplasms Mycoses Neutropenia
ATC Classification
J02AX06
anidulafungin
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIMYCOTICS FOR SYSTEMIC USE
Activity Summary
IC50 2 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV-2 CHEMBL4303835 | IC50 | 5.33 | 5.33 | 4640.0 | 1 |
| Cytochrome P450 2C8 CHEMBL3721 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 112000.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 1975000.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 382000.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 96000.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 1975000.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 382000.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 96000.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 92500.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 98000.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 101000.0 | ng.hr.mL-1 | Homo sapiens |
| CL | 14.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 0.21 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.913 | L/hr | Homo sapiens |
| CL | 17.1 | L/hr | Homo sapiens |
| Cmax | 9647.01 | nM | Homo sapiens |
| Cmax | 52620039.47 | nM | Mus musculus |
| Cmax | 3771102.83 | nM | Mus musculus |
| Cmax | 21048015.79 | nM | Mus musculus |
| Cmax | 52620.04 | nM | Mus musculus |
| Cmax | 21048.02 | nM | Mus musculus |
| Cmax | 3771.1 | nM | Mus musculus |
| Cmax | 3183.51 | nM | Homo sapiens |
| Cmax | 5788.2 | nM | Homo sapiens |
| Fu | 0.01 | - | Mus musculus |
| Fu | 0.01 | - | Mus musculus |
| Fu | 0.01 | - | Mus musculus |
| Fu | 0.01 | - | Mus musculus |
| Fu | 0.01 | - | Mus musculus |
| Fu | 0.01 | - | Mus musculus |
| Fu | 0.16 | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV-2 | IC50 | = | 4640.0 | nM | 5.33 | Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in ... | - |
| Cytochrome P450 2C8 | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of human CYP2C8 using amodiaquine as a substrate | 19029327 |
Literature References
Data from ChEMBL 36 via Core Engine