Molecule

Pyrrolnitrin

AlkaPlorer ID: AK312079

Synonym: 3-Chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole, Icar, Micutrin, Pyro-Ace, Rugosin H, A 10338, FR 005759, Lilly 52230, NSC 107654, Antibiotic A 10338

IUPAC Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole

Structure

SMILES: O=[N+]([O-])C1=C(C2=CNC=C2Cl)C=CC=C1Cl

InChI: InChI=1S/C10H6Cl2N2O2/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12/h1-5,13H

InChIKey: QJBZDBLBQWFTPZ-UHFFFAOYSA-N

Reference

A New Combination of Cytochromes Occurring in Pseudomonas riboflavina

PubChem CID: 13916

CAS: 1018-71-9

LOTUS: LTS0221465

NPASS: NPC115049

{

NPAtlas: NPA018752

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Burkholderia pyrrocinia	Burkholderia	Burkholderiaceae	Burkholderiales	Betaproteobacteria	Pseudomonadota	None	Bacteria
Aglaia tomentosa	Aglaia	Meliaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Backhousia citriodora	Backhousia	Myrtaceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Upuna borneensis	Upuna	Dipterocarpaceae	Malvales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Centipeda minima	Centipeda	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pseudomonas sp.	Pseudomonas	Pseudomonadaceae	Pseudomonadales	Gammaproteobacteria	Pseudomonadota	None	Bacteria
Trichoderma avellaneum	Trichoderma	Hypocreaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Pseudomonas chlororaphis	Pseudomonas	Pseudomonadaceae	Pseudomonadales	Gammaproteobacteria	Pseudomonadota	None	Bacteria
Myxococcus fulvus	Myxococcus	Myxococcaceae	Myxococcales	Myxococcia	Myxococcota	None	Bacteria
Burkholderia cepacia	Burkholderia	Burkholderiaceae	Burkholderiales	Betaproteobacteria	Pseudomonadota	None	Bacteria
Capraria biflora	Capraria	Scrophulariaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Acinetobacter haemolyticus	Acinetobacter	Moraxellaceae	Moraxellales	Gammaproteobacteria	Pseudomonadota	None	Bacteria
Senecio macrocephalus	Senecio	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 257.076

TPSA？: 58.93

MolLogP？: 3.896700000000001

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Chlorocebus sabaeus	Vero	MTD50	8.0	ug ml-1	10.1016/s0960-894x(98)00526-5
Homo sapiens	Geminin	Potency	21136.0	nM	None
Homo sapiens	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Potency	3548.1	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	14963.1	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	21136.0	nM	None
Homo sapiens	Ubiquitin carboxyl-terminal hydrolase 1	Potency	39810.7	nM	None
Mus musculus	Nuclear receptor ROR-gamma	Potency	12589.3	nM	None
Mus musculus	Nuclear receptor ROR-gamma	Potency	31622.8	nM	None
Mycobacterium avium	Mycobacterium avium	IC	0.075	ug ml-1	10.1016/j.ejmech.2017.06.005
Mycobacterium avium	Mycobacterium avium	MIC	4.0	ug.mL-1	10.1016/j.ejmech.2017.06.005
Mycobacterium avium	Mycobacterium avium	MIC	8.0	ug.mL-1	10.1016/s0960-894x(98)00526-5
Mycobacterium gordonae	Mycobacterium gordonae	MIC	16.0	ug.mL-1	10.1016/s0960-894x(98)00526-5
Mycobacterium marinum	Mycobacterium marinum	MIC	16.0	ug.mL-1	10.1016/s0960-894x(98)00526-5
Mycobacterium tuberculosis	Mycobacterium tuberculosis	IC	0.075	ug ml-1	10.1016/j.ejmech.2017.06.005
Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	4.0	ug.mL-1	10.1016/j.ejmech.2017.06.005
Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	4.0	ug.mL-1	10.1016/s0960-894x(98)00526-5
Mycolicibacterium smegmatis	Mycolicibacterium smegmatis	IC	0.075	ug ml-1	10.1016/j.ejmech.2017.06.005
Mycolicibacterium smegmatis	Mycolicibacterium smegmatis	MIC	4.0	ug.mL-1	10.1016/j.ejmech.2017.06.005
Mycolicibacterium smegmatis	Mycolicibacterium smegmatis	MIC	16.0	ug.mL-1	10.1016/s0960-894x(98)00526-5
Mycolicibacterium smegmatis	Mycolicibacterium smegmatis	MIC	300.0	ug.mL-1	10.1016/j.ejmech.2015.12.017
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	IC50	19952.62	nM	10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	IC50	20000.0	nM	10.6019/CHEMBL4651402