Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN

Structure

InChI Key VXYZBLXGCYNIHP-CAGINOIPSA-N
Smile 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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Malaria, Falciparum 3 D016778 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL404431
SureChEMBL SCHEMBL4547841