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Meriolin 3

AlkaPlorer ID: AK004666

Synonym: None

IUPAC Name: 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

Structure

SMILES: COC1=C2C(=CNC2=NC=C1)C3=NC(=NC=C3)N

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InChI: InChI=1S/C12H11N5O/c1-18-9-3-5-14-11-10(9)7(6-16-11)8-2-4-15-12(13)17-8/h2-6H,1H3,(H,14,16)(H2,13,15,17)

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InChIKey: GGEWEQJWGGJUHO-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 241.25400000000002

TPSA？: 89.71

MolLogP？: 1.6106999999999998

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens BT-549 IC50 130.0 nM 10.1021/acs.jmedchem.7b00663
Homo sapiens CDK2/Cyclin A2 IC50 11.0 nM 10.1021/acs.jmedchem.6b00150
Homo sapiens CDK2/Cyclin A2 IC50 11.0 nM 10.1021/acs.jmedchem.7b00663
Homo sapiens CDK9/cyclin T1 IC50 6.0 nM 10.1021/acs.jmedchem.6b00150
Homo sapiens CDK9/cyclin T1 IC50 6.0 nM 10.1021/acs.jmedchem.7b00663
Homo sapiens CDK9/cyclin T1 IC50 6.0 nM 10.1021/jm700940h
Homo sapiens c-Jun N-terminal kinase 3 Inhibition -7.9 % 10.1021/acs.jmedchem.7b00663
Homo sapiens c-Jun N-terminal kinase 3 Inhibition -2.6 % 10.1021/acs.jmedchem.7b00663
Homo sapiens Cyclin-dependent kinase Activity nan None 10.1021/jm700940h
Homo sapiens Cyclin-dependent kinase 2/cyclin A IC50 11.0 nM 10.1021/jm700940h
Homo sapiens Cyclin-dependent kinase 5/CDK5 activator 1 IC50 170.0 nM 10.1021/acs.jmedchem.6b00150
Homo sapiens Cyclin-dependent kinase 5/CDK5 activator 1 IC50 170.0 nM 10.1021/jm700940h
Homo sapiens Dual-specificity tyrosine-phosphorylation regulated kinase 1A Inhibition 96.0 % 10.1021/acs.jmedchem.7b00663
Homo sapiens Dual-specificity tyrosine-phosphorylation regulated kinase 1A Inhibition 98.3 % 10.1021/acs.jmedchem.7b00663
Homo sapiens GBM IC50 140.0 nM 10.1021/jm700940h
Homo sapiens Glycogen synthase kinase-3 beta Inhibition 13.4 % 10.1021/acs.jmedchem.7b00663
Homo sapiens Glycogen synthase kinase-3 beta Inhibition 13.7 % 10.1021/acs.jmedchem.7b00663
Homo sapiens HCT-116 Activity 720.0 um 10.1021/jm700940h
Homo sapiens HCT-116 IC50 63.0 nM 10.1021/jm700940h
Homo sapiens HCT-116 IC50 100.0 nM 10.1021/acs.jmedchem.7b00663
Homo sapiens HEK293 IC50 240.0 nM 10.1021/jm700940h
Homo sapiens Inhibitor of nuclear factor kappa B kinase beta subunit Inhibition 37.2 % 10.1021/acs.jmedchem.7b00663
Homo sapiens Inhibitor of nuclear factor kappa B kinase beta subunit Inhibition 43.8 % 10.1021/acs.jmedchem.7b00663
Homo sapiens Insulin receptor-related protein Inhibition -4.6 % 10.1021/acs.jmedchem.7b00663
Homo sapiens Insulin receptor-related protein Inhibition 6.9 % 10.1021/acs.jmedchem.7b00663
Homo sapiens KMS-11 IC50 120.0 nM 10.1021/jm700940h
Homo sapiens LS174T IC50 130.0 nM 10.1021/jm700940h
Homo sapiens MCF7 IC50 200.0 nM 10.1021/acs.jmedchem.7b00663
Homo sapiens MDA-MB-231 IC50 200.0 nM 10.1021/acs.jmedchem.7b00663
Homo sapiens MDA-MB-468 IC50 160.0 nM 10.1021/acs.jmedchem.7b00663
Homo sapiens PI3-kinase p110-alpha subunit Inhibition 11.5 % 10.1021/acs.jmedchem.7b00663
Homo sapiens PI3-kinase p110-alpha subunit Inhibition 21.1 % 10.1021/acs.jmedchem.7b00663
Homo sapiens Ribosomal protein S6 kinase 1 Inhibition 84.5 % 10.1021/acs.jmedchem.7b00663
Homo sapiens Ribosomal protein S6 kinase 1 Inhibition 91.7 % 10.1021/acs.jmedchem.7b00663
Homo sapiens Serine/threonine-protein kinase Aurora-A Inhibition 9.5 % 10.1021/acs.jmedchem.7b00663
Homo sapiens Serine/threonine-protein kinase Aurora-A Inhibition 10.6 % 10.1021/acs.jmedchem.7b00663
Homo sapiens Serine/threonine-protein kinase Chk1 Inhibition 13.4 % 10.1021/acs.jmedchem.7b00663
Homo sapiens Serine/threonine-protein kinase Chk1 Inhibition 13.7 % 10.1021/acs.jmedchem.7b00663
Homo sapiens Serine/threonine-protein kinase MST4 Inhibition 6.7 % 10.1021/acs.jmedchem.7b00663
Homo sapiens Serine/threonine-protein kinase MST4 Inhibition 11.4 % 10.1021/acs.jmedchem.7b00663
Homo sapiens Serine/threonine-protein kinase NEK6 Inhibition 4.1 % 10.1021/acs.jmedchem.7b00663
Homo sapiens Serine/threonine-protein kinase NEK6 Inhibition 20.1 % 10.1021/acs.jmedchem.7b00663
Homo sapiens Serine/threonine-protein kinase PLK1 Inhibition -1.7 % 10.1021/acs.jmedchem.7b00663
Homo sapiens Serine/threonine-protein kinase PLK1 Inhibition 14.6 % 10.1021/acs.jmedchem.7b00663
Homo sapiens Serine/threonine-protein kinase Sgk1 Inhibition 29.3 % 10.1021/acs.jmedchem.7b00663
Homo sapiens Serine/threonine-protein kinase Sgk1 Inhibition 38.1 % 10.1021/acs.jmedchem.7b00663
Homo sapiens SH-SY5Y IC50 73.0 nM 10.1021/jm700940h
Homo sapiens SH-SY5Y IC50 120.0 nM 10.1021/acs.jmedchem.7b00663
Homo sapiens T47D IC50 200.0 nM 10.1021/acs.jmedchem.7b00663
Homo sapiens Tyrosine-protein kinase BRK Inhibition 9.5 % 10.1021/acs.jmedchem.7b00663
Homo sapiens Tyrosine-protein kinase BRK Inhibition 10.6 % 10.1021/acs.jmedchem.7b00663
Homo sapiens Tyrosine-protein kinase CSK Inhibition -4.6 % 10.1021/acs.jmedchem.7b00663
Homo sapiens Tyrosine-protein kinase CSK Inhibition 6.9 % 10.1021/acs.jmedchem.7b00663
Homo sapiens Tyrosine-protein kinase JAK3 Inhibition 14.6 % 10.1021/acs.jmedchem.7b00663
Homo sapiens Tyrosine-protein kinase JAK3 Inhibition 31.9 % 10.1021/acs.jmedchem.7b00663
Homo sapiens Tyrosine-protein kinase LCK Inhibition 7.3 % 10.1021/acs.jmedchem.7b00663
Homo sapiens Tyrosine-protein kinase LCK Inhibition 8.3 % 10.1021/acs.jmedchem.7b00663
Homo sapiens Vascular endothelial growth factor receptor 1 Inhibition 0.9 % 10.1021/acs.jmedchem.7b00663
Homo sapiens Vascular endothelial growth factor receptor 1 Inhibition 3.1 % 10.1021/acs.jmedchem.7b00663
Mus musculus 4T1 IC50 650.0 nM 10.1021/acs.jmedchem.7b00663
Mus musculus 4T1 TGI 94.96 % 10.1021/acs.jmedchem.7b00663
Mus musculus Plasma Cp 35.3 ng/ml 10.1021/acs.jmedchem.7b00663
Mus musculus Plasma Cp 54.9 ng/ml 10.1021/acs.jmedchem.7b00663
Mus musculus Plasma Cp 141.1 ng/ml 10.1021/acs.jmedchem.7b00663
Mus musculus Plasma Cp 312.8 ng/ml 10.1021/acs.jmedchem.7b00663
Mus musculus Plasma Cp nan None 10.1021/acs.jmedchem.7b00663
Rattus norvegicus Dual specificity tyrosine-phosphorylation-regulated kinase 1A IC50 29.0 nM 10.1021/jm700940h
None Unchecked IC50 170.0 nM 10.1021/acs.jmedchem.6b00150
None Unchecked IC50 170.0 nM 10.1021/jm700940h
None Unchecked IC50 188.0 nM 10.1021/acs.jmedchem.7b00663
None Unchecked IC50 200.0 nM 10.1021/jm700940h
None Unchecked IC50 230.0 nM 10.1021/jm700940h
None Unchecked Ratio IC50 0.94 None 10.1021/acs.jmedchem.7b00663

Metabolism Information