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name Structure Reference Source Properties Activities Metabolism

Leucettamine B

AlkaPlorer ID: AK322370

Synonym: None

IUPAC Name: (5Z)-2-amino-5-(1,3-benzodioxol-5-ylmethylidene)-3-methylimidazol-4-one

Structure

SMILES: CN1C(=N)N/C(=C\C2=CC=C3OCOC3=C2)C1=O

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InChI: InChI=1S/C12H11N3O3/c1-15-11(16)8(14-12(15)13)4-7-2-3-9-10(5-7)18-6-17-9/h2-5H,6H2,1H3,(H2,13,14)/b8-4-

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InChIKey: PKEDBIGNILOTHW-YWEYNIOJSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Leucetta microraphis Leucetta Leucettidae Clathrinida Calcarea Porifera Metazoa Eukaryota

Properties Information

Molecule Weight: 245.238

TPSA？: 74.65

MolLogP？: 0.7525700000000001

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Cannabinoid CB1 receptor Activity 9.5 % 10.1021/acs.jmedchem.1c01141
Homo sapiens Cannabinoid CB1 receptor IC50 10000.0 nM 10.1021/acs.jmedchem.1c01141
Homo sapiens Casein kinase 2 Inhibition nan % 10.1021/acs.jmedchem.1c01141
Homo sapiens Casein kinase I epsilon IC50 10000.0 nM 10.1021/acs.jmedchem.2c02068
Homo sapiens Casein kinase II Inhibition nan % 10.1021/jm301034u
Homo sapiens Casein kinase I isoform alpha/subunit beta IC50 100000.0 nM 10.1016/j.ejmech.2009.10.009
Homo sapiens CDK9/cyclin T1 IC50 10000.0 nM 10.1021/jm301034u
Homo sapiens Cyclin-dependent kinase 2/cyclin A IC50 10000.0 nM 10.1021/jm301034u
Homo sapiens Cyclin-dependent kinase 5/CDK5 activator 1 IC50 10000.0 nM 10.1021/acs.jmedchem.2c02068
Homo sapiens Cyclin-dependent kinase 5/CDK5 activator 1 IC50 10000.0 nM 10.1021/jm200274d
Homo sapiens Cyclin-dependent kinase 5/CDK5 activator 1 IC50 10000.0 nM 10.1021/jm301034u
Homo sapiens Cyclin-dependent kinase 5/CDK5 activator 1 IC50 100000.0 nM 10.1016/j.ejmech.2009.10.009
Homo sapiens Cyclin-dependent kinase 7/ cyclin H IC50 10000.0 nM 10.1021/jm301034u
Homo sapiens Dual specificity protein kinase CLK2 Activity nan None 10.1021/jm301034u
Homo sapiens Dual specificity protein kinase CLK2 IC50 720.0 nM 10.1021/acs.jmedchem.1c00985
Homo sapiens Dual specificity protein kinase CLK2 IC50 3094.0 nM 10.1021/acs.jmedchem.2c02068
Homo sapiens Dual specificity protein kinase CLK3 Activity nan None 10.1021/jm301034u
Homo sapiens Dual specificity protein kinase CLK3 IC50 10000.0 nM 10.1021/acs.jmedchem.2c02068
Homo sapiens Dual specificity protein kinase CLK4 Activity nan None 10.1021/jm301034u
Homo sapiens Dual specificity protein kinase CLK4 IC50 396.2 nM 10.1021/acs.jmedchem.2c02068
Homo sapiens Dual-specificity tyrosine-phosphorylation regulated kinase 1A Activity nan None 10.1021/jm301034u
Homo sapiens Dual-specificity tyrosine-phosphorylation regulated kinase 1A IC50 220.0 nM 10.1021/acs.jmedchem.1c01141
Homo sapiens Dual-specificity tyrosine-phosphorylation regulated kinase 1A IC50 600.0 nM 10.1021/jm301034u
Homo sapiens Dual-specificity tyrosine-phosphorylation regulated kinase 1A IC50 950.0 nM 10.1021/jm301034u
Homo sapiens Dual-specificity tyrosine-phosphorylation regulated kinase 1A IC50 1549.0 nM 10.1021/acs.jmedchem.2c02068
Homo sapiens Dual-specificity tyrosine-phosphorylation regulated kinase 1A Inhibition nan % 10.1021/acs.jmedchem.1c01141
Homo sapiens Dual-specificity tyrosine-phosphorylation regulated kinase 1A Kd 273.32 nM 10.1021/acs.jmedchem.2c02068
Homo sapiens Dual-specificity tyrosine-phosphorylation regulated kinase 1A TIME 0.0001667 hr 10.1021/acs.jmedchem.2c02068
Homo sapiens Dual specificity tyrosine-phosphorylation-regulated kinase 1B Activity nan None 10.1021/jm301034u
Homo sapiens Dual specificity tyrosine-phosphorylation-regulated kinase 1B IC50 1600.0 nM 10.1021/acs.jmedchem.1c01141
Homo sapiens Dual specificity tyrosine-phosphorylation-regulated kinase 1B IC50 4100.0 nM 10.1021/jm301034u
Homo sapiens Dual specificity tyrosine-phosphorylation-regulated kinase 1B IC50 10000.0 nM 10.1021/acs.jmedchem.2c02068
Homo sapiens Dual-specificity tyrosine-phosphorylation regulated kinase 2 Activity nan None 10.1021/jm301034u
Homo sapiens Dual-specificity tyrosine-phosphorylation regulated kinase 2 IC50 430.0 nM 10.1021/acs.jmedchem.1c01141
Homo sapiens Dual-specificity tyrosine-phosphorylation regulated kinase 2 IC50 1500.0 nM 10.1021/jm200274d
Homo sapiens Dual-specificity tyrosine-phosphorylation regulated kinase 2 IC50 2000.0 nM 10.1021/jm301034u
Homo sapiens Dual-specificity tyrosine-phosphorylation regulated kinase 2 IC50 2730.0 nM 10.1021/acs.jmedchem.2c02068
Homo sapiens Dual-specificity tyrosine-phosphorylation regulated kinase 3 IC50 1300.0 nM 10.1021/acs.jmedchem.1c01141
Homo sapiens Dual-specificity tyrosine-phosphorylation regulated kinase 3 IC50 1400.0 nM 10.1021/jm301034u
Homo sapiens Dual-specificity tyrosine-phosphorylation regulated kinase 3 IC50 4886.0 nM 10.1021/acs.jmedchem.2c02068
Homo sapiens Dual specificity tyrosine-phosphorylation-regulated kinase 4 IC50 6374.0 nM 10.1021/acs.jmedchem.2c02068
Homo sapiens Dual specificity tyrosine-phosphorylation-regulated kinase 4 IC50 10000.0 nM 10.1021/jm301034u
Homo sapiens Dual specificty protein kinase CLK1 Activity nan None 10.1021/jm301034u
Homo sapiens Dual specificty protein kinase CLK1 IC50 646.1 nM 10.1021/acs.jmedchem.2c02068
Homo sapiens Dual specificty protein kinase CLK1 Kd 36.89 nM 10.1021/acs.jmedchem.2c02068
Homo sapiens Dual specificty protein kinase CLK1 TIME 0.008667 hr 10.1021/acs.jmedchem.2c02068
Homo sapiens Glycogen synthase kinase-3 IC50 15000.0 nM 10.1016/j.ejmech.2009.10.009
Homo sapiens Glycogen synthase kinase-3 alpha IC50 7700.0 nM 10.1021/jm301034u
Homo sapiens Glycogen synthase kinase-3 beta Activity nan None 10.1021/acs.jmedchem.2c02068
Homo sapiens Glycogen synthase kinase-3 beta IC50 10000.0 nM 10.1021/acs.jmedchem.2c02068
Homo sapiens Glycogen synthase kinase-3 beta IC50 10000.0 nM 10.1021/jm301034u
Homo sapiens Glycogen synthase kinase-3 beta Kd 10000.0 nM 10.1021/acs.jmedchem.2c02068
Homo sapiens Leukotriene B4 receptor 1 Ki 100000.0 nM 10.1021/np50100a005
Homo sapiens Serine/threonine-protein kinase PIM1 IC50 10000.0 nM 10.1021/acs.jmedchem.1c01141
Homo sapiens Serine/threonine-protein kinase PIM1 IC50 10000.0 nM 10.1021/jm200274d
Homo sapiens Serine/threonine-protein kinase PIM1 IC50 10000.0 nM 10.1021/jm301034u
Mus musculus Dual specificity protein kinase CLK1 IC50 66.0 nM 10.1021/jm301034u
Mus musculus Dual specificity protein kinase CLK1 IC50 140.0 nM 10.1021/acs.jmedchem.1c01141
Mus musculus Dual specificity protein kinase CLK1 IC50 400.0 nM 10.1021/jm200274d
Mus musculus Dual specificity protein kinase CLK2 IC50 940.0 nM 10.1021/acs.jmedchem.1c01141
Mus musculus Dual specificity protein kinase CLK2 IC50 2100.0 nM 10.1021/jm301034u
Mus musculus Dual specificity protein kinase CLK3 IC50 1800.0 nM 10.1021/jm301034u
Mus musculus Dual specificity protein kinase CLK3 IC50 6000.0 nM 10.1021/acs.jmedchem.1c01141
Mus musculus Dual specificity protein kinase CLK3 IC50 6400.0 nM 10.1021/jm200274d
Mus musculus Dual specificity protein kinase CLK4 IC50 120.0 nM 10.1021/acs.jmedchem.1c01141
Mus musculus Dual specificity protein kinase CLK4 IC50 150.0 nM 10.1021/jm301034u
Mus musculus HT-22 Activity nan None 10.1021/acs.jmedchem.1c01141
Mus musculus HT-22 IC50 100000.0 nM 10.1021/acs.jmedchem.2c02068
Rattus norvegicus Dual specificity tyrosine-phosphorylation-regulated kinase 1A IC50 900.0 nM 10.1021/jm301034u
Rattus norvegicus Dual specificity tyrosine-phosphorylation-regulated kinase 1A IC50 920.0 nM 10.1021/jm301034u
Rattus norvegicus Dual specificity tyrosine-phosphorylation-regulated kinase 1A IC50 2800.0 nM 10.1021/jm200274d
Rattus norvegicus Mitogen-activated protein kinase 1 IC50 10000.0 nM 10.1021/jm301034u
Sus scrofa Glycogen synthase kinase-3 IC50 2900.0 nM 10.1021/jm301034u
Sus scrofa Glycogen synthase kinase-3 IC50 5000.0 nM 10.1021/acs.jmedchem.1c01141
Sus scrofa Glycogen synthase kinase-3 IC50 10000.0 nM 10.1021/jm200274d
None ADMET Activity nan None 10.1021/acs.jmedchem.1c01141
None Unchecked Activity 4.3 None 10.1021/acs.jmedchem.1c01141
None Unchecked deltaCT 1.14 None 10.1021/acs.jmedchem.1c01141
None Unchecked IC50 10000.0 nM 10.1021/jm200274d
None Unchecked IC50 10000.0 nM 10.1021/jm301034u
None Unchecked Inhibition nan % 10.1021/jm301034u
None Unchecked Ratio IC50 0.42 None 10.1021/acs.jmedchem.2c02068
None Unchecked Ratio IC50 6.0 None 10.1021/acs.jmedchem.2c02068

Metabolism Information