Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: K27F04K3A9

Structure

InChI Key SWMNGXODFOCPKQ-BTJKTKAUSA-N
Smile CONC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NOC)cc3)o2)cc1.O=C(O)/C=C\C(=O)O
InChI
InChI=1S/C20H20N4O3.C4H4O4/c1-25-23-19(21)15-7-3-13(4-8-15)17-11-12-18(27-17)14-5-9-16(10-6-14)20(22)24-26-2;5-3(6)1-2-4(7)8/h3-12H,1-2H3,(H2,21,23)(H2,22,24);1-2H,(H,5,6)(H,7,8)/b;2-1-

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H24N4O7
Molecular Weight 480.48
AlogP 3.57
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 103.36
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Kinetoplast DNA inhibitor PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pneumonia, Pneumocystis 3 D011020 ClinicalTrials
Trypanosomiasis 2 D014352 ClinicalTrials
Malaria 1 D008288 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2107359
FDA SRS K27F04K3A9
PharmGKB PA166122486
PubChem 11691495