Details of the Drug

General Information of Drug (ID: DMLPC17)

Drug Name
PMID17888661C18
Synonyms GTPL3212
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 180.12
Logarithm of the Partition Coefficient (xlogp) 0.9
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C6H14O2P2
IUPAC Name
3-methyl-1-phosphanylidenephosphanyloxypentan-3-ol
Canonical SMILES
CCC(C)(CCOP=P)O
InChI
InChI=1S/C6H14O2P2/c1-3-6(2,7)4-5-8-10-9/h7,9H,3-5H2,1-2H3
InChIKey
QGZAHEYJZLWZDX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
56947006
TTD ID
D00KPR

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 [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Mutation and inhibition studies of mevalonate 5-diphosphate decarboxylase. Bioorg Med Chem Lett. 2007 Nov 15;17(22):6164-8.