Caspofungin
An antifungal agent belonging to the echinocandin class that inhibits the synthesis of beta-1,3-D-glucan, an essential component of the fungal cell wall not found in human cells. It is used intravenously to treat invasive Aspergillus and Candida infections in patients who are unresponsive to or intolerant of other antifungals. Its targeted mechanism results in a favorable tolerability profile compared to older antifungals.
Molecular Weight
1093.3000 g/mol
LogP
0.30
TPSA
412.00 Ų
Lipinski RO5
Fail
Therapeutic Areas
Pharmacokinetics (PK)
Pharmacodynamics (PD)
2D Structure
Cite this structure
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SMILES
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
InChI
InChI=1S/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/t28-,29+,30+,33+,34-,35-,36+,37-,38+,40-,41-,42-,43-,44-,45-,46-/m0/s1
Molecular Formula
C52H88N10O15
HBD / HBA
16 / 18
Rotatable Bonds
23
Heavy Atoms
77
No targets recorded
Target interaction data is not yet available for this drug.
No interactions recorded
Drug interaction data is not yet available for this compound.
No side effects recorded
Side effect data is not yet available for this drug.
Frequently Asked Questions
An antifungal agent belonging to the echinocandin class that inhibits the synthesis of beta-1,3-D-glucan, an essential component of the fungal cell wall not found in human cells. It is used intravenously to treat invasive Aspergillus and Candida infections in patients who are unresponsive to or intolerant of other antifungals. Its targeted mechanism results in a favorable tolerability profile compared to older antifungals.
Yes, Caspofungin is an approved drug. It has reached clinical phase 4. It is classified as a Small molecule.
References & Data Sources
- ChEMBL — European Bioinformatics Institute (EBI). CHEMBL1630575. Open-access bioactivity database.
- PubChem — National Center for Biotechnology Information (NCBI). CID 16119814. Chemical information database.
Data aggregated from publicly available pharmacological databases. Last updated 2026-03-04.
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