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

General Information of Drug (ID: DR2632)
Drug Name
Amphotericin B
Synonyms
Amfotericina B; Ampho-Moronal; Amphocin; Amphotec; Amphotericin; Amphotericin-B; Amphotericine B; Amphotericinum B; AMPH-B; Ambisome; Amphozone; Fungizone; Halizon; Liposomal Amphotericin B; amphotericin b; 1397-89-3; 7XU7A7DROE; Abelcet; Abelecet; DSSTox_CID_2601; DSSTox_GSID_22601; DSSTox_RID_76653; MFCD00877763; NCGC00090808-01; NSC 527017; UNII-7XU7A7DROE
Indication Aspergillosis [ICD11: 1F20] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 924.1 Topological Polar Surface Area 320
Heavy Atom Count 65 Rotatable Bond Count 3
Hydrogen Bond Donor Count 12 Hydrogen Bond Acceptor Count 18
Cross-matching ID
PubChem CID
5280965
ChEBI ID
CHEBI:2682
CAS Number
1397-89-3
Formula
C47H73NO17
Canonical SMILES
CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O
InChI
1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1
InChIKey
APKFDSVGJQXUKY-INPOYWNPSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
Amphotericin B M1 PDM013990 N. A. Oxidation - Dehydrogenation of secondary alcohol 1 Human
Amphotericin B M10 PDM013999 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Amphotericin B M11 PDM014000 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Amphotericin B M12 PDM014001 N. A. Conjugation - O-Glucuronidation of aliphatic acid 1 Human
Amphotericin B M13 PDM014002 N. A. Conjugation - Carnitine conjugation 1 Human
Amphotericin B M2 PDM013991 N. A. Conjugation - Glycine conjugation 1 Human
Amphotericin B M3 PDM013992 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Amphotericin B M4 PDM013993 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Amphotericin B M5 PDM013994 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Amphotericin B M6 PDM013995 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Amphotericin B M7 PDM013996 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Amphotericin B M8 PDM013997 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Amphotericin B M9 PDM013998 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Unclear metabolic mechanism (DME-unclear) DME1279 Methanobrevibacter oralis Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1280 Methanobrevibacter smithii Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1281 Methanomassiliicoccus luminyensis Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1282 Methanosphaera stadtmanae Not Available Not Available [2]
References
1 Amphotericin B was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 The antimicrobial resistance pattern of cultured human methanogens reflects the unique phylogenetic position of archaea. J Antimicrob Chemother. 2011 Sep;66(9):2038-44.

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