Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: T34SH2H9HI

Structure

InChI Key SUFPWYYDCOKDLL-UHFFFAOYSA-N
Smile Cc1cc(-c2ccccc2)c(C(=O)C(=O)Nc2ccc(N3CCN(c4ncc(F)cn4)CC3)cc2)n1C
InChI
InChI=1S/C28H27FN6O2/c1-19-16-24(20-6-4-3-5-7-20)25(33(19)2)26(36)27(37)32-22-8-10-23(11-9-22)34-12-14-35(15-13-34)28-30-17-21(29)18-31-28/h3-11,16-18H,12-15H2,1-2H3,(H,32,37)

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H27FN6O2
Molecular Weight 498.56
AlogP 4.08
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 83.36
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 37.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Dihydroorotate dehydrogenase (quinone), mitochondrial inhibitor PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Mycoses 2 D009181 ClinicalTrials
Aspergillosis 1 D001228 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297609
DrugBank DB15245
FDA SRS T34SH2H9HI
SureChEMBL SCHEMBL17767345