PRIMAQUINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC P01BA03
UNII MVR3634GX1
EPA CompTox DTXSID8023509

Structure

InChI Key INDBQLZJXZLFIT-UHFFFAOYSA-N
Smiles COc1cc(NC(C)CCCN)c2ncccc2c1
InChI
InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H21N3O
Molecular Weight 259.35
AlogP 2.78
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 60.17
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Unclassified protein
- - - - 81-94
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Escherichia coli
- - - - 81-94
Homo sapiens
- - - - 20
Plasmodium berghei
- - - - 2.2-62
Plasmodium falciparum
- 6.17-800 - - 40-50
Plasmodium falciparum 3D7
- 460 - - -
Plasmodium falciparum Dd2
- 460 - - -
Plasmodium falciparum FCR-3/Gambia
- 400 - - -
Plasmodium falciparum FcB1/Columbia
- 8.9 - - -
Plasmodium falciparum K1
- 460-643 - - -
Plasmodium falciparum NF54
- 892 - - -
Plasmodium falciparum VS/1
- 326 - - -
Plasmodium gallinaceum
- - - - 100
Plasmodium yoelii
- 75 - - -
Plasmodium yoelii yoelii
- 75.7-640 - - 80
Rattus norvegicus
- - - - 1-7

Related Entries

Cross References

Resources Reference
CAS NUMBER 90-34-6
ChEBI 8405
ChEMBL CHEMBL506
DrugBank DB01087
DrugCentral 2266
FDA SRS MVR3634GX1
Human Metabolome Database HMDB0015219
Guide to Pharmacology 9952
KEGG C07627
PharmGKB PA451103
PubChem 4908
SureChEMBL SCHEMBL22207
CONTENTS