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

CHEMBL1872946

NITHIAMIDE
🧪 Phase II
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
🧪 Phase II
CC(=O)Nc1ncc([N+](=O)[O-])s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1872946
Name NITHIAMIDE
Phase Phase II
Structure Type MOL
InChI Key UJRRDDHEMZLWFI-UHFFFAOYSA-N

Known Names

2-acetamido-5-nitrothiazole Acinitrazole Aminitrozol Aminitrozole CL 5,279 CL-5279 Nithiamide NSC-31539 NSC-45914
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
16
Publications
9
Known Names

Molecular Properties

187.2
MW (Da)
1.01
ALogP
5
HBA
1
HBD
85.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Year 1976

Extended Properties

Molecular Formula C5H5N3O3S
MW 187.18
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -2.59

Activity Summary

IC50 8 meas. best 7.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trichomonas vaginalis
CHEMBL612884
 IC50 7.66 7.64 22.0 3
Giardia intestinalis
CHEMBL612652
 IC50 6.31 6.3067 490.0 3
Trypanosoma brucei
CHEMBL612849
 IC50 6.24 5.785 580.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trichomonas vaginalis IC50 = 22.0 nM 7.66 Antimicrobial activity against Trichomonas vaginalis GT3 incubated for 48 hrs fo... 24529307
Trichomonas vaginalis IC50 = 22.0 nM 7.66 Trichomonicidal activity against Trichomonas vaginalis GT3 compound treated for ... 25801157
Trichomonas vaginalis IC50 = 25.12 nM 7.6 Antimicrobial activity against Trichomonas vaginalis GT3 incubated for 48 hrs fo... 24529307
Giardia intestinalis IC50 = 490.0 nM 6.31 Antimicrobial activity against Giardia intestinalis IMSS:0696:1 incubated for 48... 24529307
Giardia intestinalis IC50 = 490.0 nM 6.31 Giardicidal activity against Giardia intestinalis IMSS:0696:1 compound treated f... 25801157
Giardia intestinalis IC50 = 501.19 nM 6.3 Antimicrobial activity against Giardia intestinalis IMSS:0696:1 incubated for 48... 24529307
Trypanosoma brucei IC50 = 580.0 nM 6.24 Anti-parasitic activity against type 1 nitroreductase over-expressing Trypanosom... 30453246
Trypanosoma brucei IC50 = 4670.0 nM 5.33 Anti-parasitic activity against wild type Trypanosoma brucei 30453246

Literature References

PubMed DOI Target Context # Activities
24529307 10.1016/j.bmc.2014.01.029 Trichomonas vaginalis 3
24529307 10.1016/j.bmc.2014.01.029 Giardia intestinalis 3
30453246 10.1016/j.ejmech.2018.11.013 Trypanosoma brucei 2
30453246 10.1016/j.ejmech.2018.11.013 Unchecked 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
24529307 10.1016/j.bmc.2014.01.029 Vero 1
24529307 10.1016/j.bmc.2014.01.029 Trypanosoma cruzi 1
24529307 10.1016/j.bmc.2014.01.029 Leishmania amazonensis 1
25801157 10.1016/j.bmc.2015.02.059 Trichomonas vaginalis 1
25801157 10.1016/j.bmc.2015.02.059 Unchecked 1
25801157 10.1016/j.bmc.2015.02.059 Vero 1
25801157 10.1016/j.bmc.2015.02.059 Giardia intestinalis 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine