Caspofungin

Summary

Caspofungin (CHEMBL1630575) is an approved small-molecule antiinfective agent (ATC J02AX04); indicated across 8 conditions including candidiasis, invasive and oral candidiasis.

At a glance

• Status: Approved (max clinical phase 4)
• Modality: Small molecule
• ATC class: J02AX04
• Indications: 8 conditions
• Clinical trials: 44
• Chemistry: 1093.3 Da · C52H88N10O15

Identifiers

Drug identity and classification

Field	Value
ChEMBL ID	CHEMBL1630575
Name	Caspofungin
Type	Small molecule
Max phase	4
FDA approved	yes
PubChem CID	16119814
ChEBI	CHEBI:474180
ATC	J02AX04
Molecular formula	C52H88N10O15
Molecular weight	1093.3
InChIKey	JYIKNQVWKBUSNH-WVDDFWQHSA-N

SMILES: CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](CCN)O)O)NCCN)O

IUPAC name: (10R,12S)-N-[(3S,6S,9S,11R,15S,18S,20R,21S,24S,25S)-21-(2-aminoethylamino)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide

ChEBI definition: A semisynthetic cyclic hexapeptide echinocandin antibiotic which exerts its effect by inhibiting the synthesis of 1,3-β-D-glucan, an integral component of the fungal cell wall.

Pharmacological roles (ChEBI): antiinfective agent.

Also known as: Caspofungin, Caspofungina, Caspofungine, L-743,872, L-743872, caspofungin, MK-0991, CASPOFUNGINE, CASPOFUNGIN

Parent form; salt/anhydrous children: CHEMBL5314378

Patent coverage: 8 distinct patent families (14 SureChEMBL compound mentions), from 1 matched compound structure(s). Mentions count patents naming the compound (not distinct inventions), so promiscuous / reference molecules inflate the mention figure — families are the dedup metric.

Targets

Targets

Broader ChEMBL bioactivity targets: 12 (assay-derived). Sample: D(1A) dopamine receptor, Estrogen receptor, Progesterone receptor, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M1, Prostaglandin G/H synthase 1, Sodium-dependent noradrenaline transporter, Alpha-1A adrenergic receptor, Mu-type opioid receptor, Sodium-dependent dopamine transporter, Adenosine receptor A3, Broad substrate specificity ATP-binding cassette transporter ABCG2.

Bioactivity

ChEMBL activities: 8 potent at pChembl ≥ 5 of 13 total. Top 100 by potency (10 = 0.1 nM, 6 = 1 µM):

Target	pChembl	Type	Value	Unit	Activity ID
PTGS1	5.44	AC50	3632	nM	CHEMBL_ACT_25204988
SLC6A3	5.38	AC50	4126	nM	CHEMBL_ACT_25124723
SLC6A2	5.3	AC50	5026	nM	CHEMBL_ACT_25145764
PTGS1	5.3	AC50	4991	nM	CHEMBL_ACT_25205921
OPRM1	5.29	AC50	5118	nM	CHEMBL_ACT_25157939
PGR	5.24	AC50	5697	nM	CHEMBL_ACT_25204055
ABCG2	5.22	IC50	6000	nM	CHEMBL_ACT_24777408
DRD1	5.05	AC50	8833	nM	CHEMBL_ACT_25114974

Target pathways

No target-pathway data for this drug (no mapped target genes).

Indications & clinical

Indications

7 diseases in clinical trials (phase 1–3, investigational — not approved indications). Highest ChEMBL trial phase per disease; a non-cancer approved use is occasionally logged at phase 3 here.

Disease (in trials)	Phase	MONDO	EFO
candidiasis, invasive	3	MONDO:0044067	EFO:1001283
oral candidiasis	3	MONDO:0005886	EFO:0007406
candidemia	3	MONDO:0044070	EFO:1001282
candidiasis	3	MONDO:0002026	MONDO:0002026
fungal infectious disease	3	MONDO:0002041	MONDO:0002041
injury	2	MONDO:0021178	EFO:0000546
aspergillosis	2	MONDO:0005657	EFO:0007157

1 further indication record had no mapped disease name (EFO/MeSH-only) or were duplicates, and are omitted.

Clinical trials

Total trials: 44.

Phase distribution

Phase	Trials
PHASE2	12
PHASE3	10
Not specified	10
PHASE4	9
PHASE1/PHASE2	2
PHASE2/PHASE3	1

Top trials by phase / activity

NCT	Phase	Status	Title
NCT00334412	PHASE4	COMPLETED	COMBISTRAT: AmBisome® in Combination With Caspofungin for the Treatment of Invasive Aspergillosis
NCT00520234	PHASE4	COMPLETED	Randomized Study of Caspofungin Prophylaxis Followed by Pre-emptive Therapy for Invasive Candidiasis in the Intensive Care Unit (ICU)
NCT00839540	PHASE4	COMPLETED	Comparison of Candida Eradication and Serum Cidal Activity of Echinocandins
NCT01062165	PHASE4	COMPLETED	Effect of Weight and/or Obesity on Caspofungin Drug Concentrations
NCT01499433	PHASE4	UNKNOWN	Efficacy and Safety of Caspofungin for Invasive Pulmonary Aspergillosis Underlying Chronic Obstructive Pulmonary Disease
NCT01968395	PHASE4	COMPLETED	Pharmacokinetics of Caspofungin After One Dose in Patients With Liver Failure
NCT01994096	PHASE4	COMPLETED	Optimal Dosage of Caspofungin in Critically Ill Patients
NCT02895529	PHASE4	TERMINATED	A Study Comparing the Efficacy of Intravenous Followed by Oral Itraconazole With Intravenous Caspofungin For Empiric Antifungal Therapy in Neutropenic Participants With Hematological Malignancy
NCT03978559	PHASE4	UNKNOWN	Trimethoprim/Sulfamethoxazole Combined With Caspofungin as First-line Therapy in PCP
NCT05421858	PHASE3	RECRUITING	A Phase 3 Efficacy and Safety Study of Fosmanogepix for the Treatment of Adult Participants With Candidemia and/or Invasive Candidiasis.
NCT00095316	PHASE3	TERMINATED	Caspofungin Study for Fungal Infections in Adults in Critical Care Settings
NCT00099775	PHASE3	COMPLETED	Caspofungin to Prevent Candidiasis in Adults in Hospital Intensive Care Units
NCT00105144	PHASE3	COMPLETED	Study of Micafungin in Patients With Invasive Candidiasis or Candidemia
NCT00413218	PHASE3	COMPLETED	Isavuconazole (BAL8557) in the Treatment of Candidemia and Other Invasive Candida Infections
NCT00665639	PHASE3	COMPLETED	Trial of Two Dosing Regimens of Micafungin Versus Caspofungin for the Treatment of Esophageal Candidiasis
NCT00748345	PHASE2/PHASE3	COMPLETED	Pharmacokinetics of Caspofungin in Burn Patients
NCT00805740	PHASE3	TERMINATED	An Evaluation Of The Effectiveness And Safety Of Anidulafungin Compared To Caspofungin For The Treatment Of Deep Tissue Infection Due To Candida
NCT00806351	PHASE3	TERMINATED	An Evaluation Of The Effectiveness And Safety Of Anidulafungin Compared To Caspofungin For The Treatment Of Serious Fungal Infection Due To Candida In Patients With A Dysfunctional Immune System
NCT01058174	PHASE3	COMPLETED	Liver Transplant European Study Into the Prevention of Fungal Infection
NCT03667690	PHASE3	COMPLETED	Study of Rezafungin Compared to Caspofungin in Subjects With Candidemia and/or Invasive Candidiasis
NCT06892951	PHASE1/PHASE2	NOT_YET_RECRUITING	CaspoNEB: Efficacy and Safety of Caspofungin Aerosols for the Curative Treatment of Pneumocystis Pneumonia
NCT00005920	PHASE2	TERMINATED	Safety and Effectiveness of Giving L-743,872 to Patients With Thrush That Has Not Been Cured With Fluconazole
NCT00148148	PHASE2	COMPLETED	A Study of Caspofungin, Liposomal Amphotericin B or the Combination of Both for Patients After Stem-Cell Transplantation
NCT00333645	PHASE2	UNKNOWN	Prophylaxis With Caspofungin in High-Risk Liver Transplantation
NCT00404092	PHASE2	COMPLETED	Caspofungin Maximum Tolerated Dose in Patients With Invasive Aspergillosis
NCT00501098	PHASE2	COMPLETED	Prophylaxis of Fungal Invasive Infections in Leukemia
NCT01165320	PHASE2	COMPLETED	A Study of Caspofungin (MK-0991) in Japanese Children and Adolescents With Documented Candida or Aspergillus Infections (MK-0991-074)
NCT01260974	PHASE2	UNKNOWN	Caspofungin as Prophylaxis in High Risk Liver Transplantation Recipients
NCT01318148	PHASE2	COMPLETED	Pharmacokinetic, Safety and Efficacy of Intermittent Application of Caspofungin for Antifungal Prophylaxis
NCT01945281	PHASE2	TERMINATED	Safety, Tolerability, and Efficacy of Caspofungin Versus Amphotericin B Deoxycholate in the Treatment of Invasive Candidiasis in Neonates and Infants (MK-0991-064)
NCT02734862	PHASE2	COMPLETED	CD101 Compared to Caspofungin Followed by Oral Step Down in Subjects With Candidemia and/or Invasive Candidiasis-Bridging Extension
NCT02856178	PHASE1/PHASE2	WITHDRAWN	Study on Safety and Pharmacokinetics of Intravenous F901318 for Fungal Prophylaxis in AML Patients
NCT02941068	PHASE2	COMPLETED	the Influence of Prophylactic and Empirical Anti-fungal Treatment in Severe Sepsis Patients With Perforations
NCT03857399	PHASE2	COMPLETED	Empiric Therapy of Patients With Persistent Fever and Agranulocytosis Using Caspofungin
NCT04961593	Not specified	RECRUITING	PK/PD of Caspofungin in Children Severe Infection
NCT00005921	Not specified	COMPLETED	A Study of the Side Effects of L-743,872 in Men With Candidal Esophagitis
NCT00388167	Not specified	COMPLETED	Acetato de Caspofungin (Cancidas®) in the Treatment of Fungal Infection
NCT00491426	Not specified	COMPLETED	Antimicrobial PK in Infants With Suspected or Confirmed Infection
NCT01533558	Not specified	COMPLETED	Pharmacokinetics of Caspofungin (Cancidas ®) Given Intravenously as Therapy to Patients With an Invasive Fungal Infection in the Intensive Care Unit - a Search for Co-variates
NCT02510053	Not specified	UNKNOWN	Pharmacokinetics and Pharmacodynamics of Caspofungin (Cancidas ®) and Drug Tolerance of Fungi to Patients With an Invasive Fungal Infection in the Intensive Care Unit
NCT02596984	Not specified	COMPLETED	Evaluation of the Pharmacokinetics of Caspofungin in ICU Patients
NCT02603575	Not specified	UNKNOWN	Effects and Safety of Caspofungin and Corticosteroids in Pneumocystis Pneumonia in Non-HIV Patients
NCT03399032	Not specified	COMPLETED	Pharmacokinetics of Caspofungin
NCT03798600	Not specified	COMPLETED	Pharmacokinetics/Pharmacodynamics (PK/PD) of Caspofungin in Intensive Care Unit (ICU) Patients. An Open Observational Study for Antifungal Treatment’s Optimization

Clinical evidence (CIViC)

No CIViC predictive evidence (expected for non-precision-medicine drugs).

Pharmacology

Pharmacogenomics

No PharmGKB pharmacogenomic data curated for this drug.

Related molecules

Related molecules

No competitor molecules sharing a primary target (ChEMBL phase ≥2 or PubChem drug-class).