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oxycarboxin

AlkaPlorer ID: AK000630

Synonym: None

IUPAC Name: 6-methyl-4,4-dioxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide

Structure

SMILES: CC1=C(C(O)=NC2=CC=CC=C2)S(=O)(=O)CCO1

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InChI: InChI=1S/C12H13NO4S/c1-9-11(18(15,16)8-7-17-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)

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InChIKey: AMEKQAFGQBKLKX-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Trypanosoma brucei Trypanosoma Trypanosomatidae Trypanosomatida Kinetoplastea Euglenozoa None Eukaryota

Properties Information

Molecule Weight: 267.306

TPSA？: 75.96000000000001

MolLogP？: 1.9511

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Androgen Receptor Potency 22387.2 nM None
Homo sapiens Ataxin-2 Potency 21192.3 nM None
Homo sapiens Bile acid receptor FXR Potency 44668.4 nM None
Homo sapiens Geminin Potency 18356.4 nM None
Homo sapiens Glucagon-like peptide 1 receptor Potency 10000.0 nM None
Homo sapiens Glucocorticoid receptor Potency 50118.7 nM None
Homo sapiens Glycoprotein hormones alpha chain Potency 22387.2 nM None
Homo sapiens HEK293 Potency 12589.3 nM None
Homo sapiens HepG2 Potency 125.9 nM None
Homo sapiens Isocitrate dehydrogenase [NADP] cytoplasmic Potency 9200.0 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 8634.9 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 28183.8 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 61130.6 nM None
Homo sapiens Peroxisome proliferator-activated receptor delta Potency 44668.4 nM None
Homo sapiens Peroxisome proliferator-activated receptor gamma Potency 15848.9 nM None
Homo sapiens Regulator of G-protein signaling 4 Potency 100000.0 nM None
Homo sapiens Retinoid X receptor alpha Potency 19952.6 nM None
Homo sapiens Retinoid X receptor alpha Potency 28183.8 nM None
Homo sapiens Thyroid hormone receptor beta-1 Potency 39810.7 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 25929.0 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 29092.9 nM None
Homo sapiens Vitamin D receptor Potency 15848.9 nM None
Homo sapiens Vitamin D receptor Potency 39810.7 nM None
Rattus norvegicus L6 IC50 100000.0 nM 10.6019/CHEMBL1862790
Trypanosoma cruzi Trypanosoma cruzi IC50 65123.0 nM 10.6019/CHEMBL1862790
Trypanosoma cruzi Trypanosoma cruzi IC90 100000.0 nM 10.6019/CHEMBL1862790
None Unchecked Potency 794.3 nM None
None Unchecked Potency 891.3 nM None
None Unchecked Potency 1258.9 nM None
None Unchecked Potency 3981.1 nM None
None Unchecked Potency 25929.0 nM None
None Unchecked Potency 31622.8 nM None

Metabolism Information