Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1083)
Drug Name
Micafungin
Synonyms
Micafungin; Micafungin (INN); Micafungin [INN]; Mycamine; Mycamine(TM); PIEUQSKUWLMALL-YABMTYFHSA-N; R10H71BSWG; Z-3191; J-015136; 114M326; 235114-32-6; AC1L9WY8; AN-10396; C56H71N9O23S; CHEBI:600520; CHEMBL457547; D08218; DB01141; FK-463; FK463; Pneumocandin A0, 1-((4R,5R)-4,5-dihydroxy-N2-(4-(5-(4-(pentyloxy)phenyl)-3-isoxazolyl)benzoyl]-L-ornithine)-4-((4S)-4-hydroxy-4-(4-hydroxy-3-(sulfooxy)phenyl)-L-threonine)-; SCHEMBL11893279; UNII-R10H71BSWG; X7260
Indication Candidiasis [ICD11: 1F23] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 1270.3 Topological Polar Surface Area 519
Heavy Atom Count 89 Rotatable Bond Count 18
Hydrogen Bond Donor Count 16 Hydrogen Bond Acceptor Count 24
Cross-matching ID
PubChem CID
477468
ChEBI ID
CHEBI:600520
CAS Number
235114-32-6
TTD Drug ID
D06TOE
Formula
C56H71N9O23S
Canonical SMILES
CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(=O)NC4CC(C(NC(=O)C5C(C(CN5C(=O)C(NC(=O)C(NC(=O)C6CC(CN6C(=O)C(NC4=O)C(C)O)O)C(C(C7=CC(=C(C=C7)O)OS(=O)(=O)O)O)O)C(CC(=O)N)O)C)O)O)O
InChI
1S/C56H71N9O23S/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85)/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+/m0/s1
InChIKey
PIEUQSKUWLMALL-YABMTYFHSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Micafungin Metabolite M1 DM004414
91610352
Unclear 1 [4]
Micafungin Metabolite M2 DM004415
90752394
Unclear 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004740 Micafungin Micafungin Metabolite M1 Unclear HMPREF2983_01415 [4]
MR004741 Micafungin Metabolite M1 Micafungin Metabolite M2 Unclear COMT [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Arylsulfatase A (ARSA) DME0193 Homo sapiens
ARSA_HUMAN
3.1.6.8
[2]
Catechol O-methyltransferase (COMT) DME0043 Homo sapiens
COMT_HUMAN
2.1.1.6
[3]
Sulfatase (sulF) DME1919 Prevotella buccae
A0A1F0P5Q0_9BACT
3.1.6.1
[4]
References
1 Micafungin was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 The echinocandin micafungin: a review of the pharmacology, spectrum of activity, clinical efficacy and safety. Expert Opin Pharmacother. 2007 Jun;8(8):1155-66.
3 #N/A
4 #N/A

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