Details of the Drug

General Information of Drug (ID: DMWLDRJ)

Drug Name
PIROTIODECANE
Synonyms HPE-101; 1-[2-(Decylsulfanyl)ethyl]pyrrolidin-2-one
Indication
Disease Entry ICD 11 Status REF
Ophthalmic graves disease 5A02.0 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 285.5
Logarithm of the Partition Coefficient (xlogp) 4.9
Rotatable Bond Count (rotbonds) 12
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C16H31NOS
IUPAC Name
1-(2-decylsulfanylethyl)pyrrolidin-2-one
Canonical SMILES
CCCCCCCCCCSCCN1CCCC1=O
InChI
InChI=1S/C16H31NOS/c1-2-3-4-5-6-7-8-9-14-19-15-13-17-12-10-11-16(17)18/h2-15H2,1H3
InChIKey
VDPRSOCKHVPZRS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
124240
CAS Number
113855-10-0
TTD ID
D06UOL

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Potential penetration (PP) TTXLO8T NOUNIPROTAC Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Effectiveness of pirotiodecane, absorption enhancer, on nasal absorption in rabbits. Drug Metab Pharmacokinet. 2005 Feb;20(1):65-71.