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

General Information of Drug (ID: DR1092)
Drug Name
Miltefosine
Synonyms
Miltefosin C; Miltefosina; Miltefosina [INN-Spanish]; Miltefosine; Miltefosine [INN:BAN]; Miltefosinum; Miltefosinum [INN-Latin]; Miltex; hexadecyl phosphocholine; miltefosin; monohexadecylphosphocholine; n-Hexadecylphosphorylcholine; Hexadecylphosphocholine; Hexadecylphosphorylcholine; Impavido; n-hexadecylphosphocholine; 1-Hexadecylphosphorylcholine; 58066-85-6; D 18506; D-18506; HDPC; NSC605583; UNII-53EY29W7EC; hexadecyl 2-(trimethylammonio)ethyl phosphate; hexadecyl 2-(trimethylazaniumyl)ethyl phosphate
Indication Leishmaniasis [ICD11: 1F54] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 407.6 Topological Polar Surface Area 58.6
Heavy Atom Count 27 Rotatable Bond Count 20
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
3599
PubChem SID
226520 ; 484338 ; 4562729 ; 8137426 ; 8152270 ; 12014266 ; 14781695 ; 17396669 ; 26612907 ; 26680623 ; 26749044 ; 26749045 ; 26759174 ; 29222725 ; 49747674 ; 49748182 ; 49966181 ; 50107510 ; 53788176 ; 53800667 ; 57321887 ; 75270305 ; 91010630 ; 92124640 ; 92308871 ; 93620194 ; 103186893 ; 103942430 ; 104303974 ; 118846353 ; 124633439 ; 124633952 ; 124637845 ; 125334625 ; 126592939 ; 126645243 ; 126664051 ; 131319651 ; 134339527 ; 134358597 ; 135030585 ; 136946455 ; 137106670 ; 139786526 ; 144075829 ; 144116216 ; 144205019 ; 152054305 ; 162009789 ; 162173181
ChEBI ID
CHEBI:75283
CAS Number
58066-85-6
TTD Drug ID
D00FGR
Formula
C21H46NO4P
Canonical SMILES
CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C
InChI
1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3
InChIKey
PQLXHQMOHUQAKB-UHFFFAOYSA-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
Choline DM003230
305
Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004765 Miltefosine Choline Unclear PLD1 [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Choline phosphatase 1 (PLD1) DME0194 Homo sapiens
PLD1_HUMAN
3.1.4.4
[2]
References
1 Miltefosine was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Development of miltefosine as an oral treatment for leishmaniasis. Trans R Soc Trop Med Hyg. 2006 Dec;100 Suppl 1:S17-20.
3 Miltefosine: a review of its pharmacology and therapeutic efficacy in the treatment of leishmaniasis

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