Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: Parent
ATC: J02AC05
UNII: 60UTO373KE

Structure

InChI Key DDFOUSQFMYRUQK-RCDICMHDSA-N
Smile C[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@](O)(Cn1cncn1)c1cc(F)ccc1F
InChI
InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-8-17(23)6-7-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H17F2N5OS
Molecular Weight 437.48
AlogP 4.24
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 87.62
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 31.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Candidemia 3 D058387 ClinicalTrials
Aspergillosis 3 D001228 ClinicalTrials
Mycoses 3 D009181 ClinicalTrials
Lymphoma 2 D008223 ClinicalTrials
Leukemia, Myeloid, Acute 2 D015470 ClinicalTrials
Myeloproliferative Disorders 2 D009196 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 241479-67-4
ChEBI 85979
ChEMBL CHEMBL409153
DrugBank DB11633
EPA CompTox DTXSID2058251
FDA SRS 60UTO373KE
PDB QKM
PubChem 6918485
SureChEMBL SCHEMBL939038
ZINC ZINC000001485935