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

General Information of Drug (ID: DR0001)
Drug Name
Mevalonate-PP
Synonyms
Mevalonate 5-diphosphate; Mevalonate pyrophosphate; Mevalonate-5-diphosphate; Mevelonate-5-Diphosphate; SCHEMBL3272270; mevalonate-5PP; DIPHOSPHOMELAVONATE; mevalonate-diphosphate; (3r)-3-Hydroxy-5-{[(R)-Hydroxy(Phosphonooxy)phosphoryl]oxy}-3-Methylpentanoic Acid; (R)-5-Diphosphomevalonate; (R)-5-diphosphomevalonic acid; (S)-5-Diphosphomevalonic acid; (S)-Mevalonic acid-5-pyrophosphate; 3R-methyl-3-hydroxypentanoic acid 5-diphosphate; 5-Diphosphomevalonic acid; 5-diphosphomevalonate; AC1L97BB; C01143; CHEBI:15899; DP6; GTPL3047
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 308.12 Topological Polar Surface Area 171
Heavy Atom Count 18 Rotatable Bond Count 8
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 10
Cross-matching ID
PubChem CID
439418
PubChem SID
4374 ; 8145088 ; 10298332 ; 24697980 ; 36883645 ; 79436129 ; 103537352 ; 104620459 ; 123060236 ; 126523800 ; 135651554 ; 136380761 ; 136380772 ; 137220405 ; 139524400 ; 229303009 ; 242943846
ChEBI ID
CHEBI:15899
CAS Number
1492-08-6
TTD Drug ID
D08ERD
Formula
C6H14O10P2
Canonical SMILES
CC(CCOP(=O)(O)OP(=O)(O)O)(CC(=O)O)O
InChI
1S/C6H14O10P2/c1-6(9,4-5(7)8)2-3-15-18(13,14)16-17(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H,13,14)(H2,10,11,12)/t6-/m1/s1
InChIKey
SIGQQUBJQXSAMW-ZCFIWIBFSA-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
Isoprenoids DM003915
706
Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004277 Mevalonate-PP Isoprenoids Unclear MPPD [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Mevalonate pyrophosphate decarboxylase (MPD) DME0427 Homo sapiens
MVD1_HUMAN
4.1.1.33
[2]
mevalonate-PP decarboxylase (MPPD) DMEN181 Homo sapiens Not Available Not Available [3]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Mevalonate pyrophosphate decarboxylase (MPD) DME0427 Km = 0.0289 microM
MVD1_HUMAN
[4]
References
1 The IUPHAR/BPS Guide to PHARMACOLOGY in 2020: extending immunopharmacology content and introducing the IUPHAR/MMV Guide to MALARIA PHARMACOLOGY. Nucleic Acids Res. 2020 Jan 8;48(D1):D1006-D1021. (Ligand id: 3047).
2 The Putative mevalonate diphosphate decarboxylase from Picrophilus torridus is in reality a mevalonate-3-kinase with high potential for bioproduction of isobutene. Appl Environ Microbiol. 2015 Apr;81(7):2625-34.
3 Proliferative effect of mevalonate metabolites other than isoprenoids on cultured vascular smooth muscle cells
4 Human mevalonate diphosphate decarboxylase: characterization, investigation of the mevalonate diphosphate binding site, and crystal structure. Arch Biochem Biophys. 2008 Dec 1;480(1):58-67.

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