EcoDrugPlus


Trade Names	HALFAN
Synonyms	Halfan Halofantrine hcl Halofantrine hydrochloride SKF-102886 WR-171669
Status
Molecule Category	Salt-form
UNII	H77DL0Y630
EPA CompTox	DTXSID0045464

Trade Names

HALFAN

Synonyms

Halfan

Halofantrine hcl

Halofantrine hydrochloride

SKF-102886

WR-171669

Status

Molecule Category

Salt-form

UNII

H77DL0Y630

EPA CompTox

DTXSID0045464


InChI Key	WANGFTDWOFGECH-UHFFFAOYSA-N
Smiles	CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12.Cl
InChI	InChI=1S/C26H30Cl2F3NO.ClH/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;1H

InChI Key

WANGFTDWOFGECH-UHFFFAOYSA-N

Smiles

CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12.Cl

InChI

InChI=1S/C26H30Cl2F3NO.ClH/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;1H

Property Name	Value
Molecular Formula	C26H31Cl3F3NO
Molecular Weight	536.89
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

Property Name

Value

Molecular Formula

C26H31Cl3F3NO

Molecular Weight

536.89

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

Mechanism of Action	Action	Reference
Ferriprotoporphyrin IX inhibitor	INHIBITOR	PubMed Wikipedia Wikipedia

Mechanism of Action

Action

Reference

Ferriprotoporphyrin IX inhibitor

INHIBITOR

PubMed Wikipedia Wikipedia

Resources	Reference
ChEMBL	CHEMBL1200901
FDA SRS	H77DL0Y630
KEGG	C07634
PubChem	37392
SureChEMBL	SCHEMBL466895
ZINC	ZINC01542393

Resources

Reference

ChEMBL

FDA SRS

KEGG

PubChem

SureChEMBL

ZINC

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

HALOFANTRINE HYDROCHLORIDE

Structure

Physicochemical Descriptors

Pharmacology

Cross References