Note Type	Comments	Provided By
biological_use	.	ZereneX Building Blocks
Mp [°C]	159 - 163	Acros Organics
Melting_Point	159-161?	Alfa-Aesar
MP	160 - 162	Enamine Building Blocks
MP	161	TCI
MP	162 - 164	Enamine Building Blocks
MP	162...164	Enamine Building Blocks
ALOGPS_SOLUBILITY	5.92e+00 g/l	DrugBank-approved
purity	9.500000000000000e+001	Enamine Building Blocks Enamine Building Blocks
Purity	95%	Fluorochem
Purity	97%	APIChem
mechanism	After diffusing into the organism, interacts with DNA to cause a loss of helical DNA structure and strand breakage resulting in inhibition of protein synthesis and cell death in susceptible organisms	IBScreen Bioactives
biological_use	Amebiasis, symptomatic and asymptomatic trichomoniasis	IBScreen Bioactives
Indications	antibiotic	KeyOrganics Bioactives
Therapy	antiprotozoal	SMDC Pharmakon
biological_use	Antiprotozoal, antibacterial and amoebicidal agent	IBScreen Bioactives IBScreen Bioactives
biological_use	as part of a multidrug regimen for H. pylorieradication to reduce the risk of duodenal ulcer recurrence	IBScreen Bioactives
biological_use	CNS infections	IBScreen Bioactives
Target	DNA/RNA Synthesis	Selleck Chemicals
UniProt Database Links	DRGA_SYNY3; RDXA_HELPY	ChEBI
Patent Database Links	EP1206937; EP1452533; EP1500394; EP1537858; EP1538164; EP1607103; EP1629835; EP1637143; EP1639994; EP1671623; EP1683515; EP1685843; EP1712220; EP1717247; EP1800687; EP1872775; EP1884520; EP1894559; EP1894560; EP1905436; EP1911454; US2002165218; US20030280	ChEBI
H phrase	H351: Suspected of causing cancer	Acros Organics
biological_use	intra-abdominal infections (as part of combination regimen)	IBScreen Bioactives
Notes	Metronidazole is a 5-nitro imidazole derivative with activity against anaerobic protozoa and anaerobic bacteria	Apollo Scientific Bioactives
PUBCHEM_SUBSTANCE_COMMENT	NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 101667	NIH Clinical Collection via PubChem
Target	Others	Selleck Chemicals
P phrase	P281: Use personal protective equipment as required	Acros Organics
R phrase	R40: Limited evidence of a carcinogenic effect.	Acros Organics
S phrase	S36/37: Wear suitable protective clothing and gloves.	Acros Organics
S phrase	S36/37: Wear suitable protective clothing and gloves.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).	Acros Organics
PUBCHEM_SUBSTANCE_COMMENT	SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 101667	NIH Clinical Collection via PubChem
biological_use	skin and skin structure infections	IBScreen Bioactives
biological_use	systemic anaerobic infections	IBScreen Bioactives
biological_use	treatment of antibiotic-associated pseudomembranous colitis (AAPC), bacterial vaginosis	IBScreen Bioactives
biological_use	Treatment of susceptible anaerobic bacterial and protozoal infections in the following conditions:	IBScreen Bioactives
Patent Database Links	WO2007112581; WO2007117352	ChEBI
Hazard	XN: Harmful	Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z103176-2-O	Entamoeba Invadens (cluster #2 Of 2), Other	Other	3000	0.64	Functional ≤ 10μM
Z50422-2-O	Entamoeba Histolytica (cluster #2 Of 5), Other	Other	771	0.71	Functional ≤ 10μM
Z50467-3-O	Trichomonas Vaginalis (cluster #3 Of 3), Other	Other	720	0.72	Functional ≤ 10μM
Z50468-1-O	Giardia Intestinalis (cluster #1 Of 4), Other	Other	5360	0.61	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422	Z50422	Entamoeba Histolytica	1690	0.67	Functional ≤ 10μM
Z103176	Z103176	Entamoeba Invadens	3000	0.64	Functional ≤ 10μM
Z50468	Z50468	Giardia Intestinalis	1160	0.69	Functional ≤ 10μM
Z50467	Z50467	Trichomonas Vaginalis	1920	0.67	Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )

Synonyms (277)
Vendors (63)
Annotations (29)
Representations (1)
Notes (37)
Targets (4)
Clustered (4)
Reactome (0)
Rings (0)
Analogs (2)