PRIMAQUINE PHOSPHATE

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Trade Names:
Synonyms:
Status: Approved (1952)
Entry Type: Small molecule
Molecule Category: Salt
UNII: H0982HF78B
Parent Compound: PRIMAQUINE

Structure
InChI Key GJOHLWZHWQUKAU-UHFFFAOYSA-N
Smile COc1cc(NC(C)CCCN)c2ncccc2c1.O=P(O)(O)O.O=P(O)(O)O
InChI
InChI=1S/C15H21N3O.2H3O4P/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14;2*1-5(2,3)4/h4,6,8-11,18H,3,5,7,16H2,1-2H3;2*(H3,1,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H27N3O9P2
Molecular Weight 455.34
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(%)
Enzyme Hydrolase
- 100000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Malaria, Vivax 2 D016780 ClinicalTrials
Malaria, Falciparum 2 D016778 ClinicalTrials
Glucosephosphate Dehydrogenase Deficiency 1 D005955 ClinicalTrials
Malaria 1 D008288 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Blood and lymphatic system disorders
14.95
Investigations
14.46
Respiratory, thoracic and mediastinal disorders
10.78
General disorders and administration site conditions
8.33
Cardiac disorders
8.09
Vascular disorders
6.86
Renal and urinary disorders
5.39
Metabolism and nutrition disorders
4.66
Infections and infestations
4.17
Nervous system disorders
3.92
Injury, poisoning and procedural complications
3.19
Eye disorders
2.94
Hepatobiliary disorders
2.94
Skin and subcutaneous tissue disorders
2.7
Musculoskeletal and connective tissue disorders
2.45

Cross References

Resources Reference
ChEMBL CHEMBL43128
EPA CompTox DTXSID6045248
FDA SRS H0982HF78B
PubChem 6135
SureChEMBL SCHEMBL41096
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