Drug Information
Drug General Information | Top | |||
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Drug ID |
D00ZCN
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Former ID |
DAP000547
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Drug Name |
Caspofungin
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Synonyms |
CASPO; Cancidas; Capsofungin; Caspofungin [INN]; M991; Cancidas (TM); Cancidas (TN); Caspofungin (INN); MK-0991; L-743,872; [1(R)-hydroxyethyl]-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0(9,13)]heptacosane-2,5,8,14,17,23-hexaone diacetate; 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); (4R,5S)-5-((2-Aminoethyl)amino)-N(sup 2)-(10,12-dimethyltetradecanoyl)-4-hydroxy-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(p-hydroxyphenyl)-L-threonyl-threo-3-hydroxy-L-ornithyl-trans-3-hydroxy-L-proline cyclic (6-1)-peptide; (4R,5S)-5-((2-aminoethyl)amino)-N(2)-(10,12-dimethyltetradecanoyl)-4-hydroxy-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(p-hydroxyphenyl)-L-threonyl-threo-3-hydroxy-L-ornithyl-trans-3-hydroxy-L-proline cyclic (6-1)-peptide; 1-[(4R,5S)-5-[(2-aminoethyl)amino]-N(2)-(10,12-dimethyl-1-oxotetradecyl)-4-hydroxy-L-ornithine]-5-[(3R)-3-hydroxy-L-ornithine]-pneumocandin B0
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Drug Type |
Small molecular drug
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Indication | Fungal infection [ICD-11: 1F29-1F2F; ICD-10: B35-B49; ICD-9: 110-118] | Approved | [1] | |
Therapeutic Class |
Antifungal Agents
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Company |
Merck & Co
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Structure |
Download2D MOL
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Formula |
C52H88N10O15
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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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PubChem Compound ID | ||||
PubChem Substance ID | ||||
ChEBI ID |
CHEBI:474180
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ADReCS Drug ID | BADD_D00376 ; BADD_D00377 | |||
SuperDrug ATC ID |
J02AX04
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SuperDrug CAS ID |
cas=162808620
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Target and Pathway | Top | |||
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Target(s) | Fungal 1,3-beta-glucan synthase (Fung GSC2) | Target Info | Modulator | [2] |
KEGG Pathway | Starch and sucrose metabolism | |||
MAPK signaling pathway - yeast |
References | Top | |||
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REF 1 | Echinocandins: pharmacokinetic and therapeutic issues. Curr Med Res Opin. 2009 Jul;25(7):1741-50. | |||
REF 2 | Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. |
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