Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1XQ871489P

Structure

InChI Key JQONJQKKVAHONF-UHFFFAOYSA-N
Smile Nc1c(-c2cc(Cc3ccc(COc4ccccn4)cc3)no2)ccc[n+]1COP(=O)([O-])O
InChI
InChI=1S/C22H21N4O6P/c23-22-19(4-3-11-26(22)15-31-33(27,28)29)20-13-18(25-32-20)12-16-6-8-17(9-7-16)14-30-21-5-1-2-10-24-21/h1-11,13,23H,12,14-15H2,(H2,27,28,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H21N4O6P
Molecular Weight 468.41
AlogP 2.21
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 147.64
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR GPI-anchored wall transfer protein 1 inhibitor PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Candidemia 2 D058387 ClinicalTrials
Mycoses 2 D009181 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4297591
DrugBank DB15183
FDA SRS 1XQ871489P
PubChem 44123754