Drug Details
| General Information of the Drug (ID: DR3320) | ||||
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| Name |
Caspofungin
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| 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
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| Disease | Fungal infection [ICD-11: 1F29-1F2F] | Approved | [1] | |
| Structure |
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Click to Download Mol2D MOL |
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| ADMET Property |
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability
Clearance
The drug present in the plasma can be removed from the body at the rate of 0.14 mL/min/kg
Elimination
1.4% of drug is excreted from urine in the unchanged form
Half-life
The concentration or amount of drug in body reduced by one-half in 9 - 11 hours
Metabolism
The drug is metabolized via the hydrolysis and N-acetylation
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 0.9146 micromolar/kg/day
Unbound Fraction
The unbound fraction of drug in plasma is 0.035%
Vd
Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 0.13 L/kg
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| Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product | ||||
| Formula |
C52H88N10O15
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| PubChem CID | ||||
| 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
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| 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
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| InChIKey |
JYIKNQVWKBUSNH-OGZDCFRISA-N
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| CAS Number |
CAS 162808-62-0
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| ChEBI ID | ||||
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| Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
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| 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
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| 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 | ||||
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| 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 | |||
