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name Structure Reference Source Properties Activities Metabolism

Meridianin A; Deoxy

AlkaPlorer ID: AK051269

Synonym: Meridianin G

IUPAC Name: 4-(1H-indol-3-yl)pyrimidin-2-amine

Structure

SMILES: N=C1N=C(C2=CNC3=C2C=CC=C3)C=CN1

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InChI: InChI=1S/C12H10N4/c13-12-14-6-5-11(16-12)9-7-15-10-4-2-1-3-8(9)10/h1-7,15H,(H2,13,14,16)

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InChIKey: QNMZWFNNJMGJPU-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
None Aplidium Polyclinidae Aplousobranchia Ascidiacea Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 210.24000000000004

TPSA？: 68.32

MolLogP？: 2.03747

Number of H-Donors: 3

Number of H-Acceptors: 2

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Chlorocebus sabaeus Vero IC50 119000.0 nM 10.1016/j.ejmech.2015.05.020
Chlorocebus sabaeus Vero IC50 119000.0 nM 10.1039/C3MD00097D
Homo sapiens AMP-activated protein kinase, AMPK Inhibition 0.0 % 10.1016/j.bmcl.2015.05.034
Homo sapiens BT-549 IC50 nan None 10.1016/j.ejmech.2015.05.020
Homo sapiens cAMP-dependent protein kinase (PKA) IC50 120000.0 nM 10.1016/j.bmcl.2004.01.050
Homo sapiens Casein kinase I IC50 nan nM 10.1016/j.bmcl.2004.01.050
Homo sapiens Casein kinase I alpha Inhibition 0.0 % 10.1016/j.bmcl.2015.05.034
Homo sapiens CDK2/Cyclin A2 Inhibition 54.0 % 10.1016/j.bmcl.2014.04.035
Homo sapiens Cyclin-dependent kinase 1/cyclin B IC50 150000.0 nM 10.1016/j.bmcl.2004.01.050
Homo sapiens Cyclin-dependent kinase 2 Inhibition 0.0 % 10.1016/j.bmcl.2015.05.034
Homo sapiens Cyclin-dependent kinase 5/CDK5 activator 1 IC50 5000.0 nM 10.1021/jm200464w
Homo sapiens Cyclin-dependent kinase 5/CDK5 activator 1 IC50 140000.0 nM 10.1016/j.bmcl.2004.01.050
Homo sapiens Cyclin-dependent kinase 9 Inhibition 3.8 % 10.1016/j.bmcl.2015.05.034
Homo sapiens DU-145 IC50 nan None 10.1021/jm200464w
Homo sapiens Dual-specificity tyrosine-phosphorylation regulated kinase 1A IC50 588.0 nM 10.1016/j.bmcl.2017.03.037
Homo sapiens Dual-specificity tyrosine-phosphorylation regulated kinase 1A Inhibition 29.8 % 10.1016/j.bmcl.2015.05.034
Homo sapiens Dual specificty protein kinase CLK1 IC50 530.0 nM 10.1021/jm200464w
Homo sapiens Glycogen synthase kinase-3 beta IC50 14810.0 nM 10.1016/j.bmcl.2017.03.037
Homo sapiens Glycogen synthase kinase-3 beta IC50 350000.0 nM 10.1016/j.bmcl.2004.01.050
Homo sapiens Glycogen synthase kinase-3 beta IC50 350000.0 nM 10.1016/j.ejmech.2008.08.012
Homo sapiens Glycogen synthase kinase-3 beta Inhibition 0.0 % 10.1016/j.bmcl.2015.05.034
Homo sapiens HepG2 Activity nan None 10.1016/j.bmc.2006.11.023
Homo sapiens HepG2 IC50 119000.0 nM 10.1039/C3MD00097D
Homo sapiens IMR-32 IC50 25000.0 nM 10.1021/jm200464w
Homo sapiens Inhibitor of nuclear factor kappa B kinase beta subunit Inhibition 16.6 % 10.1016/j.bmcl.2015.05.034
Homo sapiens Insulin-like growth factor I receptor Inhibition 0.0 % 10.1016/j.bmcl.2015.05.034
Homo sapiens Insulin receptor Inhibition 9.6 % 10.1016/j.bmcl.2015.05.034
Homo sapiens KB IC50 nan None 10.1016/j.ejmech.2015.05.020
Homo sapiens MCF7 IC50 25000.0 nM 10.1021/jm200464w
Homo sapiens Mitogen-activated protein kinase kinase kinase 14 IC50 41000.0 nM 10.1016/j.bmcl.2013.01.012
Homo sapiens Nuclear factor of activated T-cells cytoplasmic 1 EC50 nan None 10.1016/j.bmcl.2017.03.037
Homo sapiens PA-1 IC50 nan None 10.1021/jm200464w
Homo sapiens PC-3 IC50 nan None 10.1021/jm200464w
Homo sapiens Protein kinase C alpha Inhibition 8.5 % 10.1016/j.bmcl.2015.05.034
Homo sapiens Serine/threonine-protein kinase AKT Inhibition 22.3 % 10.1016/j.bmcl.2015.05.034
Homo sapiens Serine/threonine-protein kinase AKT2 Inhibition 0.0 % 10.1016/j.bmcl.2015.05.034
Homo sapiens Serine/threonine-protein kinase Aurora-A Inhibition 5.1 % 10.1016/j.bmcl.2015.05.034
Homo sapiens Serine/threonine-protein kinase Aurora-B Inhibition 4.1 % 10.1016/j.bmcl.2015.05.034
Homo sapiens SH-SY5Y Activity 91.4 % 10.1016/j.bmcl.2015.05.034
Homo sapiens SH-SY5Y IC50 25000.0 nM 10.1021/jm200464w
Homo sapiens SK-MEL IC50 nan None 10.1016/j.ejmech.2015.05.020
Homo sapiens SK-OV-3 IC50 nan None 10.1016/j.ejmech.2015.05.020
Homo sapiens Tyrosine-protein kinase ABL Inhibition 7.1 % 10.1016/j.bmcl.2015.05.034
Homo sapiens U-251 Activity nan None 10.1016/j.bmc.2006.11.023
Homo sapiens Vascular endothelial growth factor receptor 1 Inhibition 8.0 % 10.1016/j.bmcl.2015.05.034
Leishmania donovani Leishmania donovani IC50 nan None 10.1039/C3MD00097D
Leishmania donovani Leishmania donovani IC90 nan None 10.1039/C3MD00097D
Mus musculus Ehrlich Activity nan None 10.1016/j.bmc.2006.11.023
Mus musculus HT-22 IC50 25000.0 nM 10.1021/jm200464w
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC90 304800.0 nM 10.1016/j.ejmech.2015.05.020
Mycolicibacterium smegmatis Mycolicibacterium smegmatis EC50 50000.0 nM 10.1039/c9md00466a
Mycolicibacterium smegmatis Mycolicibacterium smegmatis IC50 29500.0 nM 10.1039/c9md00466a
Plasmodium falciparum Plasmodium falciparum IC50 4436.09 nM 10.1016/j.ejmech.2015.05.020
Plasmodium falciparum Plasmodium falciparum IC50 4440.0 nM 10.1016/j.ejmech.2015.05.020
Plasmodium falciparum Plasmodium falciparum IC50 4440.0 nM 10.1039/C3MD00097D
Plasmodium falciparum Plasmodium falciparum IC50 9682.78 nM 10.1016/j.ejmech.2015.05.020
Plasmodium falciparum Plasmodium falciparum IC50 9690.0 nM 10.1016/j.ejmech.2015.05.020
Plasmodium falciparum Plasmodium falciparum IC50 9690.0 nM 10.1039/C3MD00097D
Rattus norvegicus Dual specificity tyrosine-phosphorylation-regulated kinase 1A IC50 700.0 nM 10.1021/jm200464w
Sus scrofa Glycogen synthase kinase-3 IC50 10000.0 nM 10.1021/jm200464w
Sus scrofa LLC-PK1 IC50 107000.0 nM 10.1016/j.ejmech.2015.05.020
Sus scrofa LLC-PK1 IC50 107000.0 nM 10.1039/C3MD00097D
None ADMET IC50 nan None 10.1021/jm200464w
None No relevant target LogD7.4 1.68 None 10.6019/CHEMBL3301361
None No relevant target Solubility 575400.0 nM 10.6019/CHEMBL3301361
None Unchecked IC50 6200.0 nM 10.1021/jm200464w
None Unchecked IC50 400000.0 nM 10.1016/j.bmcl.2004.01.050
None Unchecked Ratio IC50 11.1 None 10.1016/j.ejmech.2015.05.020
None Unchecked Ratio IC50 11.1 None 10.1039/C3MD00097D
None Unchecked Ratio IC50 12.3 None 10.1016/j.ejmech.2015.05.020
None Unchecked Ratio IC50 12.3 None 10.1039/C3MD00097D
None Unchecked Ratio IC50 24.1 None 10.1016/j.ejmech.2015.05.020
None Unchecked Ratio IC50 24.1 None 10.1039/C3MD00097D
None Unchecked Ratio IC50 26.8 None 10.1016/j.ejmech.2015.05.020
None Unchecked Ratio IC50 26.8 None 10.1039/C3MD00097D

Metabolism Information