Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: U8736VCB22

Structure

InChI Key XQKYUBTUOHHNDV-UHFFFAOYSA-N
Smile N#CC(c1ccc(F)cc1)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1Cl
InChI
InChI=1S/C17H9Cl2FN4O2/c18-13-5-11(24-17(26)23-15(25)8-22-24)6-14(19)16(13)12(7-21)9-1-3-10(20)4-2-9/h1-6,8,12H,(H,23,25,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H9Cl2FN4O2
Molecular Weight 391.19
AlogP 3.02
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 91.54
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 26.0

Indications

Mesh Heading Maximum Phase Reference
Cryptosporidiosis; Diarrhea Phase 1 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 103337-74-2
ChEMBL CHEMBL2104819
DrugBank DB12663
EPA CompTox DTXSID60869392
FDA SRS U8736VCB22
PubChem 59745
SureChEMBL SCHEMBL466345