Compound Detail
CHEMBL498847
SECNIDAZOLE 💊 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
Basic Information
| ChEMBL ID | CHEMBL498847 |
| Name | SECNIDAZOLE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | KPQZUUQMTUIKBP-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
15
Known Names
4
Indications
1
Mechanisms
Molecular Properties
185.2
MW (Da)
0.48
ALogP
5
HBA
1
HBD
81.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2017 |
| Availability | Prescription |
| Chirality | Racemic |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| DNA inhibitor | INHIBITOR | DNA | ✓ | ✓ |
Indications
Amebiasis Trichomonas Infections Vaginosis, Bacterial Vaginal Discharge
ATC Classification
P01AB07
secnidazole
Level 1: ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
Level 2: ANTIPROTOZOALS
Activity Summary
IC50 6 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trichomonas vaginalis CHEMBL612884 | IC50 | 6.09 | 5.48 | 810.0 | 2 |
| Giardia intestinalis CHEMBL612652 | IC50 | 5.39 | 5.375 | 4100.0 | 2 |
| 3-oxoacyl-[acyl-carrier-protein] synthase 3 CHEMBL1795135 | IC50 | 4.54 | 4.54 | 28500.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.54 | 4.54 | 28680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trichomonas vaginalis | IC50 | = | 810.0 | nM | 6.09 | Antitrichomonas activity against Trichomonas vaginalis TVR87 after 48 hrs by try... | 18590939 |
| Giardia intestinalis | IC50 | = | 4100.0 | nM | 5.39 | Antigiardial activity against Giardia intestinalis IMSS:0696:1 incubated for 48 ... | 32869995 |
| Giardia intestinalis | IC50 | = | 4410.0 | nM | 5.36 | Antigiardial activity against Giardia intestinalis MSS:0696:1 incubated for 48 h... | 33234343 |
| Trichomonas vaginalis | IC50 | = | 13450.0 | nM | 4.87 | Anti-trichomonas activity against Trichomonas vaginalis GT3 incubated for 48 hrs | 33234343 |
| 3-oxoacyl-[acyl-carrier-protein] synthase 3 | IC50 | = | 28500.0 | nM | 4.54 | Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherich... | 21741250 |
| Trypanosoma brucei rhodesiense | IC50 | = | 28680.0 | nM | 4.54 | DNDI: HAT in Vitro, 72 hour | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18590939 | 10.1016/j.ejmech.2008.05.015 | Salmonella typhimurium | 7 |
| - | 10.6019/CHEMBL4513161 | Pseudomonas aeruginosa | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 33234343 | 10.1016/j.ejmech.2020.112994 | ADMET | 2 |
| - | 10.6019/CHEMBL3392926 | NON-PROTEIN TARGET | 2 |
| - | 10.6019/CHEMBL3392926 | Leishmania donovani | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 28463485 | 10.1021/acs.jmedchem.7b00143 | Giardia intestinalis | 2 |
| - | 10.6019/CHEMBL3392926 | Trypanosoma brucei rhodesiense | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| - | 10.1101/2020.04.03.023846 | SARS-CoV-2 | 1 |
| 28463485 | 10.1021/acs.jmedchem.7b00143 | Bacteroides fragilis | 1 |
| - | 10.6019/CHEMBL3392926 | Trypanosoma cruzi | 1 |
| 18590939 | 10.1016/j.ejmech.2008.05.015 | Trichomonas vaginalis | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 21741250 | 10.1016/j.bmc.2011.06.021 | ADMET | 1 |
| 21741250 | 10.1016/j.bmc.2011.06.021 | 3-oxoacyl-[acyl-carrier-protein] synthase 3 | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine