General
Preferred name
HALOFANTRINE
Synonyms
Halofantrinum ()
HALOFANTRINE HYDROCHLORIDE ()
Halofantrine ()
Halofantrine (hydrochloride) ()
Halofantrine HCl ()
SKF-102886 ()
WR-171669 (hydrochloride) ()
WR-171669 ()
Halfan ()
DL-WR-171669 ()
P&D ID
PD009957
CAS
36167-63-2
106927-11-1
66051-63-6
69756-53-2
Tags
available
drug
Approved by
FDA
First approval
1992
Drug Status
approved
withdrawn
Drug indication
Antimalarial
Malaria
Max Phase
Phase 4
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Halofantrine is a phenanthrene containing compound and belongs to the aryl amino alcohols, a chemical class of antimalarial drugs that includes , and .
The INN record specifies that halofantrine is a racemic mixture of stereoisomers. We show the structure without specified stereochemistry to represent the mixture.
The marketed formulation contains halofantrine hydrochloride (PubChem CID 37392).
The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY. (GtoPdb)
The INN record specifies that halofantrine is a racemic mixture of stereoisomers. We show the structure without specified stereochemistry to represent the mixture.
The marketed formulation contains halofantrine hydrochloride (PubChem CID 37392).
The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY. (GtoPdb)
DESCRIPTION
Halofantrine is a phenanthrene class antimalarial drug. This chemical class includes and . The INN record specifies that halofantrine is a racemic mixture of stereoisomers. We show the structure without specified stereochemistry to represent the mixture.
The marketed formulation contains halofantrine hydrochloride (PubChem CID 37392).
Potential Target/Mechanism Of Action: As the precise mechanism of action of halofantrine is not yet known, we do not have a molecular target for this compound. There is some evidence that suggests that halofantrine inhibits the haem detoxification pathway in the parasite, and that this action causes lethal haem toxicity .
The marketed formulation contains halofantrine hydrochloride (PubChem CID 37392).
Potential Target/Mechanism Of Action: As the precise mechanism of action of halofantrine is not yet known, we do not have a molecular target for this compound. There is some evidence that suggests that halofantrine inhibits the haem detoxification pathway in the parasite, and that this action causes lethal haem toxicity .
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
4
Compound Sets
19
Cayman Chemical Bioactives
CeMM library of unique drugs (CLOUD)
ChEMBL Approved Drugs
ChEMBL Drugs
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMAP Approved Drugs
DrugMatrix
Enamine BioReference Compounds
Guide to Pharmacology
LSP-MoA library (Laboratory of Systems Pharmacology)
MedChem Express Bioactive Compound Library
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
Withdrawn 2.0
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
53
Molecular Weight
499.17
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
10
Ring Count
3
Aromatic Ring Count
3
cLogP
8.64
TPSA
23.47
Fraction CSP3
0.46
Chiral centers
1.0
Largest ring
6.0
QED
0.28
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
MOA
Unknown molecular target
Target
Ferriprotoporphyrin IX
Parasite
ATC
P01BX01
Therapeutic Class
Antimalarials
Pathway
Anti-infection
Source data
