Structure

InChI Key WESWYMRNZNDGBX-UHFFFAOYSA-N
Smiles Cl.OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1
InChI
InChI=1S/C17H16F6N2O.ClH/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11;/h3-5,8,12,15,24,26H,1-2,6-7H2;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H17ClF6N2O
Molecular Weight 414.78
AlogP 4.45
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 45.15
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
Ferriprotoporphyrin IX inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Phosphatase
- - - - 54
Enzyme
- - - - 54
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 54-54
Plasmodium falciparum
- 1.9-9.4 - - -
Plasmodium falciparum D6
- 6 - - -
Plasmodium falciparum K1
- 40 - - -

Cross References

Resources Reference
ChEBI 63687
ChEMBL CHEMBL535650
FDA SRS 5Y9L3636O3
Guide to Pharmacology 4252
KEGG C07633
SureChEMBL SCHEMBL41095
ZINC ZINC00897085