Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1631694

FEXINIDAZOLE
💊 Approved Drug
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
💊 Approved Drug
CSc1ccc(OCc2ncc([N+](=O)[O-])n2C)cc1

Basic Information

ChEMBL ID CHEMBL1631694
Name FEXINIDAZOLE
Phase Approved
Structure Type MOL
InChI Key MIWWSGDADVMLTG-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Fexinidazol Fexinidazole HOE 239 HOE-239
6
Targets
35
Activities
2
Assay Types
5
PK Parameters
20
Publications
4
Known Names
7
Indications
1
Mechanisms

Molecular Properties

279.3
MW (Da)
2.63
ALogP
6
HBA
0
HBD
70.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2021
Availability Prescription
Chirality Achiral

Routes of Administration

Oral

Flags

Natural Product
USAN Stem -nidazole
USAN Year 2019

Extended Properties

Molecular Formula C12H13N3O3S
MW 279.32
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.80

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Cytotoxic - -

Indications

Leishmaniasis Trypanosomiasis Trypanosomiasis, African Chagas Disease Chagas Disease Infections Leishmaniasis, Visceral

ATC Classification

P01CA03
fexinidazole
Level 1: ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
Level 2: ANTIPROTOZOALS

Activity Summary

EC50 18 meas. best 6.4
IC50 17 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma brucei brucei
CHEMBL612851
EC50 6.4 6.28 400.0 3
Trypanosoma brucei brucei
CHEMBL612851
IC50 6.4 6.28 400.0 3
Trypanosoma brucei rhodesiense
CHEMBL612348
IC50 6.16 5.8225 700.0 4
Trypanosoma brucei rhodesiense
CHEMBL612348
EC50 6.12 6.12 760.0 1
Trypanosoma brucei
CHEMBL612849
EC50 6.0 5.1857 1000.0 7
Trypanosoma brucei
CHEMBL612849
IC50 6.0 6.0 1000.0 1
Leishmania donovani
CHEMBL367
EC50 5.92 5.7967 1200.0 3
Leishmania donovani
CHEMBL367
IC50 5.92 5.66 1200.0 4
Trypanosoma cruzi
CHEMBL368
EC50 5.52 5.52 3000.0 2
Leishmania infantum
CHEMBL612848
EC50 5.47 5.47 3400.0 2
Leishmania infantum
CHEMBL612848
IC50 5.47 5.47 3400.0 3
Trypanosoma cruzi
CHEMBL368
IC50 5.05 5.05 8900.0 1

Pharmacokinetic Data

Parameter Value Units Species
Cmax 3440.5 nM Mus musculus
Fu 0.147 - Mus musculus
T1/2 0.8 hr Mus musculus
T1/2 0.8 hr Mus musculus
Tmax 0.25 hr Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma brucei brucei IC50 = 400.0 nM 6.4 Antitrypanosomal activity against trypomastigote stage of Trypanosoma brucei bru... 29885575
Trypanosoma brucei brucei EC50 = 400.0 nM 6.4 Antitrypanosomal activity against Trypanosoma brucei brucei AnTat 1.9 trypomasti... 32292551
Trypanosoma brucei brucei EC50 = 600.0 nM 6.22 Antileishmanial activity against Trypanosoma brucei brucei AnTat 1.9 measured af... 32652409
Trypanosoma brucei brucei EC50 = 600.0 nM 6.22 Antitrypanosomal activity against bloodstream form Trypanosoma brucei brucei AnT... 32795774
Trypanosoma brucei brucei IC50 = 600.0 nM 6.22 Antitrypanosomal activity against trypomastigote stage of Trypanosoma brucei bru... 30655943
Trypanosoma brucei brucei IC50 = 600.0 nM 6.22 Antitrypanosomal activity against trypomastigote stage of Trypanosoma brucei bru... 30092366
Trypanosoma brucei rhodesiense IC50 = 700.0 nM 6.16 Antimicrobial activity against Trypanosoma brucei rhodesiense after 48 hrs by pr... 21211967
Trypanosoma brucei rhodesiense EC50 = 760.0 nM 6.12 Antitrypanosomal activity against Trypanosoma brucei rhodesiense 38823730
Trypanosoma brucei EC50 = 1000.0 nM 6.0 Antimicrobial activity against Trypanosoma brucei 20439607
Trypanosoma brucei EC50 = 1000.0 nM 6.0 Antitrypanosomal activity against wildtype Trypanosoma brucei S427 bloodstream f... 37729094
Trypanosoma brucei IC50 = 1000.0 nM 6.0 Antitrypanosomal activity against Trypanosoma brucei 427 bloodstream forms asses... 30981579
Leishmania donovani IC50 = 1200.0 nM 5.92 Antileishmanial activity against promastigote stage of Leishmania donovani MHOM/... 30092366
Leishmania donovani IC50 = 1200.0 nM 5.92 Antileishmanial activity against promastigote stage of Leishmania donovani MHOM/... 30655943
Leishmania donovani EC50 = 1200.0 nM 5.92 Antileishmanial activity against Leishmania donovani MHOM/IN/00/DEVI promastigot... 32795774
Leishmania donovani EC50 = 1200.0 nM 5.92 Antileishmanial activity against Leishmania donovani MHOM/IN/00/DEVI promastigot... 32652409
Trypanosoma brucei rhodesiense IC50 = 1710.0 nM 5.77 Antitrypanosomal activity against bloodstream form of Trypanosoma brucei rhodesi... 29590751
Trypanosoma brucei rhodesiense IC50 = 1710.0 nM 5.77 Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 by Alam... 22738640
Trypanosoma brucei EC50 = 2400.0 nM 5.62 Antitrypanosomal activity against blood stream form of Trypanosoma brucei 221a v... 37722077
Trypanosoma brucei rhodesiense IC50 = 2570.0 nM 5.59 Antiparasitic activity against Trypanosoma brucei rhodesiense STIB900 bloodstrea... 21353728
Leishmania donovani IC50 = 2800.0 nM 5.55 Antimicrobial activity against Leishmania donovani amastigotes 24080103

Literature References

PubMed DOI Target Context # Activities
20439607 10.1128/aac.00332-10 Trypanosoma brucei 13
30092366 10.1016/j.ejmech.2018.07.064 Unchecked 4
32795774 10.1016/j.ejmech.2020.112668 Unchecked 3
30092366 10.1016/j.ejmech.2018.07.064 Leishmania donovani 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
37984297 10.1016/j.ejmech.2023.115954 ADMET 2
32652409 10.1016/j.ejmech.2020.112558 Unchecked 2
21211967 10.1016/j.bmcl.2010.12.040 No relevant target 2
38823730 10.1016/j.bmcl.2024.129825 Trypanosoma brucei rhodesiense 2
30655943 10.1021/acsmedchemlett.8b00347 Leishmania donovani 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
24080103 10.1016/j.bmc.2013.09.002 Leishmania donovani 2
37722077 10.1021/acs.jmedchem.3c01051 Trypanosoma brucei 2
21353728 10.1016/j.ejmech.2011.01.071 L6 1
25846065 10.1016/j.bmc.2015.03.064 Leishmania donovani 1
21353728 10.1016/j.ejmech.2011.01.071 No relevant target 1
22738640 10.1016/j.bmcl.2012.06.004 Unchecked 1
22738640 10.1016/j.bmcl.2012.06.004 Trypanosoma brucei rhodesiense 1
21211967 10.1016/j.bmcl.2010.12.040 Trypanosoma brucei rhodesiense 1
20439607 10.1128/aac.00332-10 Blood 1

Data from ChEMBL 36 via Core Engine