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7-Amino-5,8-isoquinolinedione; 6-Bromo, N7-Me 

AlkaPlorer ID: AK065859

Synonym: 6-Bromo-7-(methylamino)-5,8-isoquinolinedione, Caulibugulone C

IUPAC Name: 6-bromo-7-(methylamino)isoquinoline-5,8-dione

Structure

SMILES: CNC1=C(Br)C(=O)C2=C(C=NC=C2)C1=O

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InChI: InChI=1S/C10H7BrN2O2/c1-12-8-7(11)9(14)5-2-3-13-4-6(5)10(8)15/h2-4,12H,1H3

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InChIKey: YZQJGPPACTZUKY-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
None Caulibugula Bugulidae Cheilostomatida Gymnolaemata Bryozoa Metazoa Eukaryota

Properties Information

Molecule Weight: 267.082

TPSA？: 59.06

MolLogP？: 1.2865

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus anthracis Anthrax lethal factor Potency 19952.6 nM None
Homo sapiens Bloom syndrome protein Potency 14125.4 nM None
Homo sapiens Caspase-1 Potency 1584.9 nM None
Homo sapiens Caspase-7 Potency 3162.3 nM None
Homo sapiens Cellular tumor antigen p53 Potency 794.3 nM None
Homo sapiens Cellular tumor antigen p53 Potency 1995.3 nM None
Homo sapiens Cytochrome P450 3A4 Potency 1258.9 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 17782.8 nM None
Homo sapiens MAP kinase ERK2 Potency 39810.7 nM None
Homo sapiens Microtubule-associated protein tau Potency 22387.2 nM None
Homo sapiens Microtubule-associated protein tau Potency 39810.7 nM None
Homo sapiens Survival motor neuron protein Potency 10000.0 nM None
Homo sapiens Thyroid stimulating hormone receptor Potency 39810.7 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 2238.7 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 5623.4 nM None
Rattus norvegicus Inositol monophosphatase 1 Potency 10000.0 nM None
None NON-PROTEIN TARGET IC50 0.22 ug.mL-1 10.1021/np030378l
None Unchecked Potency 3981.1 nM None

Metabolism Information