Compound Detail
CHEMBL1630575
CASPOFUNGIN 💊 Approved Drug
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💊 Approved Drug
CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCN)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL1630575 |
| Name | CASPOFUNGIN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | JYIKNQVWKBUSNH-WVDDFWQHSA-N |
| Therapeutic | ✓ Yes |
12
Targets
22
Activities
2
Assay Types
30
PK Parameters
20
Publications
5
Known Names
8
Indications
Molecular Properties
1093.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2001 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Indications
Candidemia Candidiasis Candidiasis, Invasive Candidiasis, Oral Infections Mycoses Aspergillosis Wounds and Injuries
ATC Classification
J02AX04
caspofungin
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIMYCOTICS FOR SYSTEMIC USE
Activity Summary
IC50 21 meas. best 9.62
Ki 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1,3-glucan synthase CHEMBL2037 | IC50 | 9.62 | 9.62 | 0.2 | 1 |
| Candida albicans CHEMBL366 | IC50 | 9.22 | 7.5525 | 0.6 | 8 |
| Aspergillus fumigatus CHEMBL363 | IC50 | 7.48 | 7.09 | 33.0 | 2 |
| Nakaseomyces glabratus CHEMBL612647 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Trichophyton rubrum CHEMBL612649 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Candida tropicalis CHEMBL612870 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Cryptococcus neoformans CHEMBL365 | IC50 | 7.0 | 6.7 | 100.0 | 2 |
| Pichia kudriavzevii CHEMBL612841 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.77 | 6.77 | 170.0 | 1 |
| Candida parapsilosis CHEMBL612868 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Trichophyton mentagrophytes CHEMBL613162 | IC50 | 6.7 | 6.61 | 200.0 | 2 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 549300.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 114000.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 667000.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 345000.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 164000.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 120200.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 130290.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 70600.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 103380.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 97130.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 153650.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 96400.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 115230.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 77580.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 117190.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 109400.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 159600.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 101700.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 97400.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 122000.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 114000.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 121400.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 135300.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 122000.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 171100.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 119900.0 | ng.hr.mL-1 | Homo sapiens |
| CL | 0.14 | mL.min-1.kg-1 | Homo sapiens |
| CL | 6.05 | ml/min/m2 | Homo sapiens |
| CL | 6.07 | ml/min/m2 | Homo sapiens |
| CL | 5.2 | ml/min/m2 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine