Details of the Drug

General Information of Drug (ID: DMT7O9V)

Drug Name
SQ-34919
Synonyms
SQ-34919; CHEMBL286760; SCHEMBL9632769; SCHEMBL9632781; GTPL3101; BDBM50031839; (6,10-Dimethyl-5,9-undecadienylidene)bisphosphonic acid; ((E)-6,10-Dimethyl-1-phosphono-undeca-5,9-dienyl)-phosphonic acid; [(5E)-6,10-dimethyl-1-phosphonoundeca-5,9-dien-1-yl]phosphonic acid
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 340.29
Logarithm of the Partition Coefficient (xlogp) 1.3
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C13H26O6P2
IUPAC Name
[(5E)-6,10-dimethyl-1-phosphonoundeca-5,9-dienyl]phosphonic acid
Canonical SMILES
CC(=CCC/C(=C/CCCC(P(=O)(O)O)P(=O)(O)O)/C)C
InChI
InChI=1S/C13H26O6P2/c1-11(2)7-6-9-12(3)8-4-5-10-13(20(14,15)16)21(17,18)19/h7-8,13H,4-6,9-10H2,1-3H3,(H2,14,15,16)(H2,17,18,19)/b12-8+
InChIKey
ISMDHWZGHKZNRH-XYOKQWHBSA-N
Cross-matching ID
PubChem CID
10382597
TTD ID
D0RU3M

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Squalene synthetase (FDFT1) TTFQEO5 FDFT_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Squalene synthetase (FDFT1) DTT FDFT1 7.85E-01 -0.09 -0.38
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Inhibition of farnesyl protein transferase by new farnesyl phosphonate derivatives of phenylalanine, Bioorg. Med. Chem. Lett. 6(12):1291-1296 (1996).