Details of the Drug

General Information of Drug (ID: DMRWTHA)

Drug Name
PMID17888661C19
Synonyms GTPL3211
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) 194.15
Logarithm of the Partition Coefficient (xlogp) 1.3
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C7H16O2P2
IUPAC Name
3,4-dimethyl-1-phosphanylidenephosphanyloxypentan-3-ol
Canonical SMILES
CC(C)C(C)(CCOP=P)O
InChI
InChI=1S/C7H16O2P2/c1-6(2)7(3,8)4-5-9-11-10/h6,8,10H,4-5H2,1-3H3
InChIKey
VODAHBTZSLKFBN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
56947005
TTD ID
D03LRN

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.