HALOFANTRINE

Search structure
Synonyms:
Status: Approved (1992)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: P01BX01
UNII: R7ADS21FSN

Structure
InChI Key FOHHNHSLJDZUGQ-UHFFFAOYSA-N
Smile CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12
InChI
InChI=1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H30Cl2F3NO
Molecular Weight 500.43
AlogP 8.64
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 10.0
Polar Surface Area 23.47
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 40-200 - 7500 100
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 1900 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 94392
ChEMBL CHEMBL1107
DrugBank DB01218
DrugCentral 1350
EPA CompTox DTXSID0023119
FDA SRS R7ADS21FSN
Human Metabolome Database HMDB0015349
Guide to Pharmacology 10019
PharmGKB PA449839
PubChem 37393
SureChEMBL SCHEMBL43795
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