Structure

InChI Key LBHLFPGPEGDCJG-UHFFFAOYSA-N
Smile COc1cc(C)c2c(Oc3cccc(C(F)(F)F)c3)c(OC)cc(NC(C)CCCN)c2n1
InChI
InChI=1S/C24H28F3N3O3/c1-14-11-20(32-4)30-22-18(29-15(2)7-6-10-28)13-19(31-3)23(21(14)22)33-17-9-5-8-16(12-17)24(25,26)27/h5,8-9,11-13,15,29H,6-7,10,28H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H28F3N3O3
Molecular Weight 463.5
AlogP 5.91
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 78.63
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 33.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Malaria 4 D008288 ClinicalTrials
Malaria, Vivax 3 D016780 ClinicalTrials
Malaria, Falciparum 2 D016778 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 106635-80-7
ChEBI 141487
ChEMBL CHEMBL298470
DrugBank DB06608
DrugCentral 3578
FDA SRS 262P8GS9L9
Guide to Pharmacology 9722
PharmGKB PA166115580
PubChem 115358
SureChEMBL SCHEMBL347388