SITAMAQUINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5AIJ4TGC6B

Structure
InChI Key RVAKDGYPIVSYEU-UHFFFAOYSA-N
Smile CCN(CC)CCCCCCNc1cc(OC)cc2c(C)ccnc12
InChI
InChI=1S/C21H33N3O/c1-5-24(6-2)14-10-8-7-9-12-22-20-16-18(25-4)15-19-17(3)11-13-23-21(19)20/h11,13,15-16,22H,5-10,12,14H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H33N3O
Molecular Weight 343.52
AlogP 4.87
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 11.0
Polar Surface Area 37.39
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 25.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leishmaniasis 2 D007896 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 57695-04-2
ChEMBL CHEMBL57004
DrugBank DB04909
EPA CompTox DTXSID70206395
FDA SRS 5AIJ4TGC6B
PharmGKB PA166115581
PubChem 42548
SureChEMBL SCHEMBL1070741
ZINC ZINC000001535009
CONTENTS