OZ277

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Synonyms
Status
Molecule Category Free-form

Structure

InChI Key VXYZBLXGCYNIHP-CAGINOIPSA-N
Smiles CC(C)(N)CNC(=O)C[C@H]1CC[C@]2(CC1)OO[C@]1(O2)C2CC3CC(C2)CC1C3
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)/t14-,15?,16?,17?,18?,21+,22-

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H36N2O4
Molecular Weight 392.54
AlogP 3.25
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 82.81
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 28.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Plasmodium falciparum
2.32-2.5 1.6-1.8 - - 50
Plasmodium falciparum K1
2.55 1.8-2.5 - - -

Cross References

Resources Reference
ChEMBL CHEMBL404431
SureChEMBL SCHEMBL4547841
CONTENTS