Details of the Drug

General Information of Drug (ID: DMTP9ER)

Drug Name

D-20133

Synonyms

OMPEP; octadecyl-(2-(N-methylpiperidino)ethyl)phosphate; 146764-26-3; D 20133; 1-(2-((Hydroxy(octadecyloxy)phosphinyl)oxy)ethyl)-1-methylpiperidinium inner salt; Piperidinium, 1-(2-((hydroxy(octadecyloxy)phosphinyl)oxy)ethyl)-1-methyl-, inner salt; SCHEMBL2293548; AC1L31K0; DTXSID90163471; LS-116681; 2-(1-methylpiperidin-1-ium-1-yl)ethyl octadecyl phosphate

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

476.7

Logarithm of the Partition Coefficient (xlogp)

8.7

Rotatable Bond Count (rotbonds)

22

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C26H55NO4P+
IUPAC Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl octadecyl hydrogen phosphate
Canonical SMILES: CCCCCCCCCCCCCCCCCCOP(=O)(O)OCC[N+]1(CCCCC1)C
InChI: InChI=1S/C26H54NO4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-30-32(28,29)31-26-24-27(2)22-19-18-20-23-27/h3-26H2,1-2H3/p+1
InChIKey: CUQJLYFFQBHUGW-UHFFFAOYSA-O

Cross-matching ID

PubChem CID: 132778
TTD ID: D0J7ML

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Phospholipase C (PLC)	TT1UZQH	NOUNIPROTAC	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Antineoplastic activity and tolerability of a novel heterocyclic alkylphospholipid, D-20133. Cancer Chemother Pharmacol. 1993;32(6):437-44.
2	Novel Inhibitors of AKT: Assessment of a Different Approach Targeting the Pleckstrin Homology Domain. Curr Med Chem. 2011; 18(18): 2727-2742.