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Indomycin

AlkaPlorer ID: AK014364

Synonym: None

IUPAC Name: (5S)-5-[(1R)-1-(1H-indol-3-yl)ethyl]-2-methylimino-1,3-oxazolidin-4-one

Structure

SMILES: CN=C1N=C(O)[C@H]([C@H](C)C2=CNC3=CC=CC=C23)O1

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InChI: InChI=1S/C14H15N3O2/c1-8(12-13(18)17-14(15-2)19-12)10-7-16-11-6-4-3-5-9(10)11/h3-8,12,16H,1-2H3,(H,15,17,18)/t8-,12+/m1/s1

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InChIKey: GNTVWGDQPXCYBV-PELKAZGASA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Streptomyces griseus Streptomyces Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria

Properties Information

Molecule Weight: 257.293

TPSA？: 69.97

MolLogP？: 2.6125000000000007

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis Bacillus subtilis MIC 20.0 ug.mL-1 10.1021/jm00199a015
Coxsackievirus B1 Coxsackievirus B1 IZ 0.0 mm 10.1021/jm00199a015
Coxsackievirus B1 Coxsackievirus B1 PDD50 nan None 10.1021/jm00199a015
Enterococcus faecalis Enterococcus faecalis MIC 2.0 ug.mL-1 10.1021/jm00199a015
Enterococcus faecalis Enterococcus faecalis MIC 128.0 ug.mL-1 10.1016/j.ejmech.2022.114647
Enterococcus faecium Enterococcus faecium MIC 128.0 ug.mL-1 10.1016/j.ejmech.2022.114647
Helicobacter pylori Helicobacter pylori MIC 0.016 ug.mL-1 10.1016/j.ejmech.2017.04.003
Helicobacter pylori Helicobacter pylori MIC90 0.031 ug.mL-1 10.1016/j.ejmech.2022.114647
Homo sapiens HeLa MCC nan None 10.1021/jm00199a015
Influenza A virus Influenza A virus IZ 0.0 mm 10.1021/jm00199a015
Influenza A virus Influenza A virus PDD50 100.0 ug ml-1 10.1021/jm00199a015
Mycobacterium tuberculosis variant bovis BCG Mycobacterium tuberculosis variant bovis BCG MIC90 5000.0 nM 10.6019/CHEMBL2095176
Staphylococcus aureus Staphylococcus aureus MIC 0.125 ug.mL-1 10.1016/0960-894X(96)00237-5
Staphylococcus aureus Staphylococcus aureus MIC 0.125 ug.mL-1 10.1016/j.ejmech.2022.114647
Staphylococcus aureus Staphylococcus aureus MIC 0.25 ug.mL-1 10.1016/j.ejmech.2022.114647
Staphylococcus aureus Staphylococcus aureus MIC 0.5 ug.mL-1 10.1016/j.ejmech.2017.04.003
Staphylococcus aureus Staphylococcus aureus MIC 0.5 ug.mL-1 10.1016/j.ejmech.2022.114647
Staphylococcus aureus Staphylococcus aureus MIC 1.0 ug.mL-1 10.1016/j.ejmech.2022.114647
Staphylococcus aureus Staphylococcus aureus MIC 2.0 ug.mL-1 10.1021/jm00199a015
Staphylococcus epidermidis Staphylococcus epidermidis MIC 0.25 ug.mL-1 10.1016/j.ejmech.2022.114647
Staphylococcus epidermidis Staphylococcus epidermidis MIC 0.5 ug.mL-1 10.1016/j.ejmech.2022.114647
Staphylococcus epidermidis Staphylococcus epidermidis MIC 1.0 ug.mL-1 10.1016/j.ejmech.2022.114647
Streptococcus pyogenes Streptococcus pyogenes MIC 200.0 ug.mL-1 10.1021/jm00199a015
Streptomyces coelicolor Streptomyces coelicolor FC 1.0 None 10.1128/aac.00723-09
Streptomyces coelicolor Streptomyces coelicolor FC 8.0 None 10.1128/aac.00723-09
Streptomyces coelicolor Streptomyces coelicolor FC 12.0 None 10.1128/aac.00723-09
Streptomyces coelicolor Streptomyces coelicolor FC 20.0 None 10.1128/aac.00723-09
Streptomyces coelicolor Streptomyces coelicolor FC 32.0 None 10.1128/aac.00723-09
Streptomyces coelicolor Streptomyces coelicolor FC 48.0 None 10.1128/aac.00723-09
Streptomyces coelicolor Streptomyces coelicolor FC 60.0 None 10.1128/aac.00723-09
Streptomyces coelicolor Streptomyces coelicolor FC 300.0 None 10.1128/aac.00723-09
Streptomyces coelicolor Streptomyces coelicolor MIC 0.25 ug.mL-1 10.1128/aac.00723-09
Streptomyces coelicolor Streptomyces coelicolor MIC 2.0 ug.mL-1 10.1128/aac.00723-09
Streptomyces coelicolor Streptomyces coelicolor MIC 3.0 ug.mL-1 10.1128/aac.00723-09
Streptomyces coelicolor Streptomyces coelicolor MIC 5.0 ug.mL-1 10.1128/aac.00723-09
Streptomyces coelicolor Streptomyces coelicolor MIC 8.0 ug.mL-1 10.1128/aac.00723-09
Streptomyces coelicolor Streptomyces coelicolor MIC 10.0 ug.mL-1 10.1128/aac.00723-09
Streptomyces coelicolor Streptomyces coelicolor MIC 12.0 ug.mL-1 10.1128/aac.00723-09
Streptomyces coelicolor Streptomyces coelicolor MIC 75.0 ug.mL-1 10.1128/aac.00723-09
Streptomyces coelicolor Streptomyces coelicolor MIC 150.0 ug.mL-1 10.1128/aac.00723-09
Streptomyces griseus Streptomyces griseus MIC 15.0 ug.mL-1 10.1128/aac.00723-09
None ADMET Drug recovery 100.5 % 10.1016/j.ejmech.2022.114647
None ADMET Fu 0.441 None 10.1016/j.ejmech.2022.114647
None ADMET MCC 100.0 ug.mL-1 10.1021/jm00199a015
None ADMET PPB 55.9 % 10.1016/j.ejmech.2022.114647
None ADMET Stability 82.2 % 10.1016/j.ejmech.2022.114647
None ADMET Stability 89.8 % 10.1016/j.ejmech.2022.114647
None ADMET Stability 99.5 % 10.1016/j.ejmech.2022.114647
None ADMET Stability 101.2 % 10.1016/j.ejmech.2022.114647
None NON-PROTEIN TARGET MIC 5.0 ug.mL-1 10.1128/aac.00723-09
None Unchecked IC50 0.016 ug.mL-1 10.1016/0960-894X(96)00237-5
None Unchecked IC50 9.25 nM 10.1039/C6MD00274A
None Unchecked IC50 4040000.0 nM 10.1039/C6MD00274A

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT012629 C[33S].C[C@H](c1c[nH]c2ccccc12)[C@@H]1OC(=N)NC1=O>>CN=C1NC(=O)[C@H]([C@H](C)c2c[nH]c3ccccc23)O1 None
AKRT014583 C[SAH].C[C@H](c1c[nH]c2ccccc12)[C@@H]1OC(=N)NC1=O>>CN=C1NC(=O)[C@H]([C@H](C)c2c[nH]c3ccccc23)O1 enzymemap_27080