6-bromo-3-[4-iodo-2-(1H-pyrrol-2-yl)-1,3-oxazol-5-yl]-4-methoxy-1H-indole

AlkaPlorer ID: AK113902

Synonym: None

IUPAC Name: 5-(6-bromo-4-methoxy-1H-indol-3-yl)-4-iodo-2-(1H-pyrrol-2-yl)-1,3-oxazole

Structure

SMILES: COC1=CC(Br)=CC2=C1C(C1=C(I)N=C(C3=CC=CN3)O1)=CN2

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InChI: InChI=1S/C16H11BrIN3O2/c1-22-12-6-8(17)5-11-13(12)9(7-20-11)14-15(18)21-16(23-14)10-3-2-4-19-10/h2-7,19-20H,1H3

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InChIKey: QFXGRFBNODUHIK-UHFFFAOYSA-N

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Reference

Genes for Polyketide Secondary Metabolic Pathways in Microorganisms and Plants

New antibiotics from genetically engineered actinomycetes. I. 2-norerythromycins, isolation and structural determinations.

The Effects of Temperature on Growth and Production of the Antibiotic Granaticin by a Thermotolerant Streptomycete

Identification ofStreptomyces violaceoruber Tü22 genes involved in the biosynthesis of granaticin

Functional replacement of genes for individual polyketide synthase components in Streptomyces coelicolor A3(2) by heterologous genes from a different polyketide pathway

Further Studies on the Biosynthesis of Granaticin

Functional Complementation of Pyran Ring Formation in Actinorhodin Biosynthesis in <i>Streptomyces coelicolor</i> A3(2) by Ketoreductase Genes for Granaticin Biosynthesis

An Insight into the “-Omics” Based Engineering of Streptomycetes for Secondary Metabolite Overproduction

Unveiling Two Consecutive Hydroxylations: Mechanisms of Aromatic Hydroxylations Catalyzed by Flavin‐Dependent Monooxygenases for the Biosynthesis of Actinorhodin and Related Antibiotics

Upregulation and Identification of Antibiotic Activity of a Marine-Derived Streptomyces sp. via Co-Cultures with Human Pathogens

Polyketide synthase com plexes: their structure and function in antibiotic biosynthesis

The granaticin biosynthetic gene cluster of Streptomyces violaceoruber Tü22: sequence analysis and expression in a heterologous host

Structure and deduced function of the granaticin-producing polyketide synthase gene cluster of Streptomyces violaceoruber Tü22.

Identification of the actinorhodin monomer and its related compound from a deletion mutant of the actVA-ORF4 gene of Streptomyces coelicolor A3(2)

Sekgranaticin, a SEK34b-Granaticin Hybrid Polyketide from <i>Streptomyces</i> sp. 166#

Bioactive compounds from marine actinomycetes

Granaticins and their biosynthetic gene cluster from Streptomyces vietnamensis: evidence of horizontal gene transfer

Ability of Streptomyces spp. aryl carrier proteins and coenzyme A analogs to serve as substrates in vitro for E. coli holo-ACP synthase

In vitro Inhibition of Viral DNA Polymerase Activity by Litmomycin

Identification of Four Genes from the Granaticin Biosynthetic Gene Cluster of Streptomyces violaceoruber Tue22 Involved in the Biosynthesis of L-Rhodinose.

IDENTITY OF THE ANTITUMOR ANTIBIOTIC LITMOMYCIN WITH GRANATICIN A

PubChem CID: 136807986

COCONUT: CNP0134885

Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 484.09100000000007

TPSA: 66.84

MolLogP: 5.193700000000002

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens A2058 IC50 10000.0 nM 10.1021/acs.jmedchem.9b01006
Homo sapiens AMP-activated protein kinase, AMPK Activity 28.0 % 10.1021/acs.jmedchem.9b01006
Homo sapiens Dual-specificity tyrosine-phosphorylation regulated kinase 1A IC50 10000.0 nM 10.1021/acs.jmedchem.9b01006
Homo sapiens HT-29 IC50 10000.0 nM 10.1021/acs.jmedchem.9b01006
Homo sapiens MCF7 IC50 10000.0 nM 10.1021/acs.jmedchem.9b01006
Homo sapiens MDA-MB-468 IC50 10000.0 nM 10.1021/acs.jmedchem.9b01006
Homo sapiens Mitogen-activated protein kinase 15 IC50 10000.0 nM 10.1021/acs.jmedchem.9b01006
Homo sapiens Mitogen-activated protein kinase kinase kinase 11 IC50 10000.0 nM 10.1021/acs.jmedchem.9b01006
Homo sapiens Mitogen-activated protein kinase kinase kinase 7 IC50 10000.0 nM 10.1021/acs.jmedchem.9b01006
Homo sapiens Mitogen-activated protein kinase kinase kinase 9 IC50 10000.0 nM 10.1021/acs.jmedchem.9b01006
Homo sapiens Mitogen-activated protein kinase kinase kinase kinase 2 IC50 10000.0 nM 10.1021/acs.jmedchem.9b01006
Homo sapiens MOLT-4 IC50 10000.0 nM 10.1021/acs.jmedchem.9b01006
Homo sapiens MRC5 IC50 10000.0 nM 10.1021/acs.jmedchem.9b01006
Homo sapiens MV4-11 IC50 10000.0 nM 10.1021/acs.jmedchem.9b01006
Homo sapiens Serine/threonine-protein kinase 17A IC50 10000.0 nM 10.1021/acs.jmedchem.9b01006
Homo sapiens Serine/threonine-protein kinase 17B IC50 10000.0 nM 10.1021/acs.jmedchem.9b01006
Homo sapiens Serine/threonine-protein kinase Aurora-A IC50 10000.0 nM 10.1021/acs.jmedchem.9b01006
Homo sapiens Serine/threonine-protein kinase Aurora-B IC50 10000.0 nM 10.1021/acs.jmedchem.9b01006
Homo sapiens Serine/threonine-protein kinase PIM1 IC50 10000.0 nM 10.1021/acs.jmedchem.9b01006
Homo sapiens Serine/threonine-protein kinase PIM2 IC50 10000.0 nM 10.1021/acs.jmedchem.9b01006
Homo sapiens Serine/threonine-protein kinase PIM3 IC50 10000.0 nM 10.1021/acs.jmedchem.9b01006
Homo sapiens Serine/threonine-protein kinase RIPK2 IC50 10000.0 nM 10.1021/acs.jmedchem.9b01006
Homo sapiens Serine/threonine-protein kinase SIK3 IC50 10000.0 nM 10.1021/acs.jmedchem.9b01006
Homo sapiens SK-BR-3 IC50 10000.0 nM 10.1021/acs.jmedchem.9b01006
Homo sapiens Testis-specific serine/threonine-protein kinase 1 Activity 21.0 % 10.1021/acs.jmedchem.9b01006

Metabolism Information