Details of the Drug

General Information of Drug (ID: DMQMR3P)

Drug Name
DECYL(DIMETHYL)PHOSPHINE OXIDE
Synonyms
Dimethyldecylphosphine oxide; APO-10; Decyl(Dimethyl)phosphine Oxide; Decyldimethylphosphine oxide; 2190-95-6; 1-(dimethylphosphoryl)decane; decyl(dimethyl)phosphane oxide; Phosphine oxide, decyldimethyl-; decyldimethylphosphino-1-one; DCX; AC1MRFCU; 1-dimethylphosphoryldecane; Dimethyldecyl phosphine oxide; Phosphine oxide,decyldimethyl-; SCHEMBL158223; CTK4E7952; DTXSID90176309; MolPort-000-474-112; ZINC3130911; STK954185; SBB039895; MFCD00226006; AKOS000271378; MCULE-7993897252; DB07641; ST50109137; Dimethyldecylphosphine oxide,
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) 218.32
Logarithm of the Partition Coefficient (xlogp) 3.9
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C12H27OP
IUPAC Name
1-dimethylphosphoryldecane
Canonical SMILES
CCCCCCCCCCP(=O)(C)C
InChI
InChI=1S/C12H27OP/c1-4-5-6-7-8-9-10-11-12-14(2,3)13/h4-12H2,1-3H3
InChIKey
GSVLCKASFMVUSW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3492020
CAS Number
2190-95-6
UNII
BQ0G8CN4H9
DrugBank ID
DB07641
TTD ID
D0B0JK

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Monoamine oxidase type A (MAO-A) TT3WG5C AOFA_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Monoamine oxidase type A (MAO-A) DTT MAOA 8.14E-01 0.05 0.1
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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