Details of the Drug

General Information of Drug (ID: DMPZ92X)

Drug Name

6-fluoromevalonate 5-diphosphate

Synonyms

GTPL3205; 6-fluoro-3-hydroxy-5-{[hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylhexanoic acid

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

340.13

Logarithm of the Partition Coefficient (xlogp)

-2.8

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

11

Chemical Identifiers

Formula: C7H15FO10P2
IUPAC Name: 6-fluoro-3-hydroxy-5-[hydroxy(phosphonooxy)phosphoryl]oxy-3-methylhexanoic acid
Canonical SMILES: CC(CC(CF)OP(=O)(O)OP(=O)(O)O)(CC(=O)O)O
InChI: InChI=1S/C7H15FO10P2/c1-7(11,3-6(9)10)2-5(4-8)17-20(15,16)18-19(12,13)14/h5,11H,2-4H2,1H3,(H,9,10)(H,15,16)(H2,12,13,14)
InChIKey: YGLNCOGHKIHKSA-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Diphosphomevalonate decarboxylase (MVD)	TTE5J6X	MVD1_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3205).
2	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.