Details of the Drug

General Information of Drug (ID: DMLUP30)

Drug Name
UBIQUINONE-2
Synonyms
Ubiquinone-2; Coenzyme Q2; Ubiquinone Q2; 606-06-4; Ubiquinone 2; UNII-I7T5V2W47R; I7T5V2W47R; CHEBI:46372; 2,3-Dimethoxy-5-geranyl-6-methyl-1,4-benzoquinone; (E)-2-(3,7-Dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl-p-benzoquinone; 2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione; 2,5-Cyclohexadiene-1,4-dione, 2-(3,7-dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl-; p-Benzoquinone, 2-(3,7-dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl-, (E)-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 318.4
Logarithm of the Partition Coefficient (xlogp) 4.6
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C19H26O4
IUPAC Name
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
Canonical SMILES
CC1=C(C(=O)C(=C(C1=O)OC)OC)C/C=C(\\C)/CCC=C(C)C
InChI
InChI=1S/C19H26O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10H,7,9,11H2,1-6H3/b13-10+
InChIKey
SQQWBSBBCSFQGC-JLHYYAGUSA-N
Cross-matching ID
PubChem CID
5280346
ChEBI ID
CHEBI:46372
CAS Number
606-06-4
DrugBank ID
DB08690
TTD ID
D0C3YJ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Plasmodium Cytochrome B (Malaria MT-CYB) TTRAMF0 CYB_PLAFA Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.