Drug Details

General Information of the Drug (ID: DR3320)
Name
Caspofungin
Synonyms
Caspofungin; Cancidas; L-743,872; CHEBI:474180; MK-991; Cancidas (TN); L-743872; MK-0991; Caspofungin (INN); CHEMBL499808; SCHEMBL6726364; N-[(2-aminoethylamino)-[(1R)-3-amino-1-hydroxy-propyl]-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-trihydroxy-[(1R)-1-hydroxyethyl]-hexaoxo-[?]yl]-10,12-dimethyl-tetradecanamide; BDBM50478215; NSC754342; NSC-754342; D07626; Q420875; Pneumocandin B0, 1-[(4R,5S)-5-[(2-aminoethyl)amino]-N2-(10,12-dimethyl-1-oxotetradecyl)-4-hydroxy-L-ornithine]-5-(threo-3-hydroxy-L-ornithine)-; Pneumocandin B0, 1-[(4R,5S)-5-[(2-aminoethyl)amino]-N2-(10,12-dimethyl-1-oxotetradecyl)-4-hydroxy-L-ornithine]-5-[(3R)-3-hydroxy-L-ornithine]- (9CI)
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Molecular Type
Small molecule
Disease Fungal infection [ICD-11: 1F29-1F2F] Approved [1]
Structure
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2D MOL

3D MOL

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Formula
C52H88N10O15
PubChem CID
2826718
Canonical SMILES
CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(CCN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(CCN)O)O)NCCN)O
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+/m1/s1
InChIKey
JYIKNQVWKBUSNH-OGZDCFRISA-N
CAS Number
CAS 162808-62-0
ChEBI ID
CHEBI:474180
TTD Drug ID
D00ZCN
DrugBank ID
DB00520
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug
          Farnesol      Mosla chinensis     Click to Show/Hide the Molecular Data of This NP
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    In-vitro Model Candida parapsilosis isolates Microorganism model Candida parapsilosis
Candida parapsilosis ATCC 22019 Microorganism model Candida parapsilosis
                    Experimental
                    Result(s)		 Caspofungin and micafungin in combination with farnesol showed synergistcant interaction against Candida parapsilosis biofilms.
Target and Pathway
Target(s) Fungal 1,3-beta-glucan synthase (Fung GSC2)  Molecule Info  [3]
KEGG Pathway Starch and sucrose metabolism Click to Show/Hide
2 MAPK signaling pathway - yeast
References
Reference 1 Echinocandins: pharmacokinetic and therapeutic issues. Curr Med Res Opin. 2009 Jul;25(7):1741-50.
Reference 2 Effect of caspofungin and micafungin in combination with farnesol against Candida parapsilosis biofilms. Int J Antimicrob Agents. 2016 Apr;47(4):304-10.
Reference 3 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
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