Compound Detail
CHEMBL137
METRONIDAZOLE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL137 |
| Name | METRONIDAZOLE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | VAOCPAMSLUNLGC-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
10
Targets
194
Activities
3
Assay Types
29
PK Parameters
20
Publications
30
Known Names
20
Indications
1
Mechanisms
Molecular Properties
171.2
MW (Da)
0.09
ALogP
5
HBA
1
HBD
81.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1963 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| DNA inhibitor | INHIBITOR | DNA | ✓ | ✓ |
Indications
Amebiasis Bacterial Infections Duodenal Ulcer Infections Intraabdominal Infections Pneumonia Rosacea Sepsis Trichomonas Infections Uterine Cervicitis Vaginosis, Bacterial Abscess Blepharitis Candidiasis Colorectal Neoplasms Colorectal Neoplasms Colorectal Neoplasms Crohn Disease Diarrhea Enterocolitis, Pseudomembranous
ATC Classification
A01AB17
metronidazole
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: STOMATOLOGICAL PREPARATIONS
D06BX01
metronidazole
Level 1: DERMATOLOGICALS
Level 2: ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
G01AF01
metronidazole
Level 1: GENITO URINARY SYSTEM AND SEX HORMONES
Level 2: GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
J01XD01
metronidazole
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE
P01AB01
metronidazole
Level 1: ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
Level 2: ANTIPROTOZOALS
P01AB51
metronidazole, combinations
Level 1: ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
Level 2: ANTIPROTOZOALS
Drug Warnings
Black Box Warning
carcinogenicity
Black Box Warning
infectious disease
Black Box Warning
nephrotoxicity
Activity Summary
IC50 173 meas. best 7.17
EC50 19 meas. best 6.1
Ki 2 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trichomonas vaginalis CHEMBL612884 | IC50 | 7.17 | 6.0151 | 68.0 | 39 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 6.7 | 5.7931 | 200.0 | 65 |
| Giardia intestinalis CHEMBL612652 | IC50 | 6.3 | 5.734 | 500.0 | 52 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.1 | 5.3517 | 794.3 | 6 |
| Tritrichomonas foetus CHEMBL4888467 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Trichomonas vaginalis CHEMBL612884 | EC50 | 5.92 | 5.6567 | 1200.0 | 3 |
| Giardia intestinalis CHEMBL612652 | EC50 | 5.83 | 5.23 | 1479.1 | 7 |
| Entamoeba histolytica CHEMBL612853 | EC50 | 5.7 | 5.4333 | 2000.0 | 3 |
| Entamoeba invadens CHEMBL1075346 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Thioredoxin reductase CHEMBL3879846 | Ki | 5.48 | 5.48 | 3300.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 4.85 | 4.645 | 14000.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 4.37 | 4.37 | 42610.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | - | - | Mus musculus |
| AUC | 35.0 | - | Cavia porcellus |
| AUC | 595.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 962.0 | ng.hr.mL-1 | Homo sapiens |
| CL | 0.85 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.7 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.85 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.85 | mL.min-1.kg-1 | Homo sapiens |
| CL | 3.0 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| CL | 3.0 | uL.min-1.(10^6cells)-1 | Homo sapiens |
| CL_renal | 10.0 | mL/min/1.73 m2 | Homo sapiens |
| Cmax | - | - | Mus musculus |
| Cmax | 233699.46 | nM | Homo sapiens |
| Cmax | 70109.84 | nM | Homo sapiens |
| Cmax | 35054.92 | nM | Homo sapiens |
| Cmax | 186.96 | nM | Homo sapiens |
| Cmax | 560.88 | nM | Homo sapiens |
| F | 80.0 | % | Homo sapiens |
| Fu | 0.89 | - | - |
| Fu | 0.609 | - | - |
| Fu | 0.89 | - | Homo sapiens |
| Fu | 0.96 | - | Homo sapiens |
| Fu | 0.96 | - | Homo sapiens |
| MRT | 7.8 | hr | Homo sapiens |
| T1/2 | 20.0 | hr | - |
| T1/2 | 7.1 | hr | Homo sapiens |
| T1/2 | 6.0 | hr | - |
| Tmax | 1.0 | hr | Homo sapiens |
| Tmax | 6.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine