GANAPLACIDE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 85VMN9JU7A

Structure
InChI Key BUPRVECGWBHCQV-UHFFFAOYSA-N
Smile CC1(C)c2nc(-c3ccc(F)cc3)c(Nc3ccc(F)cc3)n2CCN1C(=O)CN
InChI
InChI=1S/C22H23F2N5O/c1-22(2)21-27-19(14-3-5-15(23)6-4-14)20(26-17-9-7-16(24)8-10-17)28(21)11-12-29(22)18(30)13-25/h3-10,26H,11-13,25H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H23F2N5O
Molecular Weight 411.46
AlogP 3.61
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 76.18
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 30.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- - - 156 -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 13400 - - -

Indications

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

Cross References

Resources Reference
ChEMBL CHEMBL2058833
DrugBank DB16173
FDA SRS 85VMN9JU7A
Guide to Pharmacology 9946
PubChem 49856296
SureChEMBL SCHEMBL1047381
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