PIPERAQUINE PHOSPHATE

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: Salt
UNII: 854D7K8LXB
Parent Compound: PIPERAQUINE

Structure
InChI Key KATNPMSTHHZOTK-UHFFFAOYSA-N
Smile Clc1ccc2c(N3CCN(CCCN4CCN(c5ccnc6cc(Cl)ccc56)CC4)CC3)ccnc2c1.O=P(O)(O)O
InChI
InChI=1S/C29H32Cl2N6.H3O4P/c30-22-2-4-24-26(20-22)32-8-6-28(24)36-16-12-34(13-17-36)10-1-11-35-14-18-37(19-15-35)29-7-9-33-27-21-23(31)3-5-25(27)29;1-5(2,3)4/h2-9,20-21H,1,10-19H2;(H3,1,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H35Cl2N6O4P
Molecular Weight 633.52
AlogP 5.42
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 38.74
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 37.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Malaria, Falciparum 2 D016778 ClinicalTrials
Malaria 1 D008288 ClinicalTrials

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEMBL CHEMBL539666
FDA SRS 854D7K8LXB
PubChem 49849842
SureChEMBL SCHEMBL16101632
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