Details of the Drug

General Information of Drug (ID: DM1YB0R)

Drug Name
OZ277
Synonyms
Arterolane; UNII-3N1TN351VB; 664338-39-0; OZ277; 3N1TN351VB; OZ-277; C22H36N2O4; Arterolane [INN]; RBx11160; OZ 277; SCHEMBL4547841; CHEMBL404431; CHEMBL580910; CHEMBL221773; SCHEMBL12612733; CHEMBL1197433; SCHEMBL13951812; SCHEMBL11379522; SCHEMBL10307589; VXYZBLXGCYNIHP-BBMJWGJISA-N; VXYZBLXGCYNIHP-CAGINOIPSA-N; ZINC14191464; RBX-11160; NCGC00274173-01; HY-10852; Y1261
Indication
Disease Entry ICD 11 Status REF
Malaria 1F40-1F45 Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 392.5
Topological Polar Surface Area (xlogp) 2.4
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C22H36N2O4
Canonical SMILES
CC(C)(CNC(=O)CC1CCC2(CC1)OC3(C4CC5CC(C4)CC3C5)OO2)N
InChI
InChI=1S/C22H36N2O4/c1-20(2,23)13-24-19(25)12-14-3-5-21(6-4-14)26-22(28-27-21)17-8-15-7-16(10-17)11-18(22)9-15/h14-18H,3-13,23H2,1-2H3,(H,24,25)
InChIKey
VXYZBLXGCYNIHP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10475633
ChEBI ID
CHEBI:136054
CAS Number
664338-39-0
TTD ID
D00ZTD

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Sarcoplasmic/endoplasmic reticulum calcium ATPase (ATP2A) TTZVSJ2 NOUNIPROTAC Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The fight against drug-resistant malaria: novel plasmodial targets and antimalarial drugs. Curr Med Chem. 2008;15(2):161-71.
2 Expression and functional characterization of a Plasmodium falciparum Ca2+-ATPase (PfATP4) belonging to a subclass unique to apicomplexan organisms. J Biol Chem. 2001 Apr 6;276(14):10782-7.
3 Elucidation of the topography of the thapsigargin binding site in the sarco-endoplasmic calcium ATPase. Bioorg Med Chem. 2010 Aug 1;18(15):5634-46.