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Compound Detail

CHEMBL38938

DIMETRIDAZOLE
🧪 Phase II
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🧪 Phase II
Cc1ncc([N+](=O)[O-])n1C

Basic Information

ChEMBL ID CHEMBL38938
Name DIMETRIDAZOLE
Phase Phase II
Structure Type MOL
InChI Key IBXPYPUJPLLOIN-UHFFFAOYSA-N

Known Names

Alazol Dimetridazol Dimetridazole Emtryl NSC-226253 RP 8595 RP-8595
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
14
Publications
7
Known Names

Molecular Properties

141.1
MW (Da)
0.64
ALogP
4
HBA
0
HBD
61.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula C5H7N3O2
MW 141.13
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -1.59

Activity Summary

IC50 1 meas. best 6.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trichomonas vaginalis
CHEMBL612884
IC50 6.15 6.15 708.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trichomonas vaginalis IC50 = 708.0 nM 6.15 Antitrichomonas activity against Trichomonas vaginalis TVR87 after 48 hrs by try... 18590939

Literature References

PubMed DOI Target Context # Activities
18590939 10.1016/j.ejmech.2008.05.015 Salmonella typhimurium 7
3543363 10.1021/jm00384a025 Tritrichomonas suis 2
18295489 10.1016/j.bmc.2007.11.029 Rattus norvegicus 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
3543363 10.1021/jm00384a025 NON-PROTEIN TARGET 1
18590939 10.1016/j.ejmech.2008.05.015 Trichomonas vaginalis 1
18590939 10.1016/j.ejmech.2008.05.015 THP-1 1
18590939 10.1016/j.ejmech.2008.05.015 Unchecked 1
- 10.1101/2020.04.03.023846 SARS-CoV-2 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.1101/2020.04.21.054387 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
37983010 10.1021/acs.jmedchem.3c00281 Fusobacterium nucleatum 1

Data from ChEMBL 36 via Core Engine