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]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

392.5

Logarithm of the Partition Coefficient (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

Combinatorial Drugs (CBD)

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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	The fight against drug-resistant malaria: novel plasmodial targets and antimalarial drugs. Curr Med Chem. 2008;15(2):161-71.