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]
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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.