Details of the Drug

General Information of Drug (ID: DMY0O7X)

Drug Name
METHOXYUNDECYLPHOSPHINIC ACID
Synonyms Methoxyundecylphosphinic Acid; MUP; AC1L9KBG; methoxy(undecyl)phosphinic acid; methoxy undecyl phosphinic acid; SCHEMBL9079355; SCHEMBL20553273; methyl hydrogen (S)-undecylphosphonate
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): 1 Molecular Weight (mw) 250.31
Logarithm of the Partition Coefficient (xlogp) 4
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C12H27O3P
IUPAC Name
methoxy(undecyl)phosphinic acid
Canonical SMILES
CCCCCCCCCCCP(=O)(O)OC
InChI
InChI=1S/C12H27O3P/c1-3-4-5-6-7-8-9-10-11-12-16(13,14)15-2/h3-12H2,1-2H3,(H,13,14)
InChIKey
JBVUSHKPEBKWQP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
446977
DrugBank ID
DB08222
TTD ID
D04HWJ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Pancreatic triacylglycerol lipase (PNLIP) TTXMY0J LIPP_HUMAN 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.