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name Structure Reference Source Properties Activities Metabolism

4-Butyl-6-(1h-Pyrrolo[2,3-B]pyridin-3-Yl)pyrimidin-2-Amine

AlkaPlorer ID: AK000179

Synonym: None

IUPAC Name: 4-butyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

Structure

SMILES: CCCCC1=CC(=NC(=N1)N)C2=CNC3=C2C=CC=N3

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InChI: InChI=1S/C15H17N5/c1-2-3-5-10-8-13(20-15(16)19-10)12-9-18-14-11(12)6-4-7-17-14/h4,6-9H,2-3,5H2,1H3,(H,17,18)(H2,16,19,20)

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InChIKey: JPZHGBZYRNZXPJ-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 267.336

TPSA？: 80.48

MolLogP？: 2.944700000000001

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 3-phosphoinositide dependent protein kinase-1 Activity -54.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens 3-phosphoinositide dependent protein kinase-1 IC50 1100.0 nM 10.1016/j.bmcl.2016.05.005
Homo sapiens 3-phosphoinositide dependent protein kinase-1 IC50 10000.0 nM 10.1016/j.bmcl.2016.05.005
Homo sapiens AMP-activated protein kinase, AMPK Activity -6.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens BR serine/threonine-protein kinase 2 Activity -12.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens CaM kinase I alpha Activity -3.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens CaM-kinase kinase beta Activity -2.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens cAMP-dependent protein kinase alpha-catalytic subunit Activity -54.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Casein kinase I delta Activity -26.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Casein kinase II Activity 14.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens CDK2/Cyclin A2 Activity -72.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens c-Jun N-terminal kinase 1 Activity -6.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens c-Jun N-terminal kinase 3 Activity 1.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Dual specificity mitogen-activated protein kinase kinase 1 Activity -21.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Dual-specificity tyrosine-phosphorylation regulated kinase 1A Activity -90.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Dual-specificity tyrosine-phosphorylation regulated kinase 3 Activity -80.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Ephrin type-A receptor 2 Activity 17.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Fibroblast growth factor receptor 1 Activity 3.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Glycogen synthase kinase-3 beta Activity -86.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Homeodomain-interacting protein kinase 2 Activity -67.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Homeodomain-interacting protein kinase 3 Activity -52.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Inhibitor of nuclear factor kappa B kinase beta subunit Activity -27.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Inhibitor of nuclear factor kappa B kinase epsilon subunit Activity -48.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Insulin receptor-related protein Activity -82.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens MAP kinase-activated protein kinase 2 Activity 13.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens MAP kinase-activated protein kinase 3 Activity 17.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens MAP kinase-activated protein kinase 5 Activity 2.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens MAP kinase ERK1 Activity -54.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens MAP kinase ERK2 Activity -9.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens MAP kinase ERK2 Activity -5.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens MAP kinase-interacting serine/threonine-protein kinase MNK1 Activity -23.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens MAP kinase p38 alpha Activity -10.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens MAP kinase p38 beta Activity -5.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens MAP kinase p38 delta Activity -37.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens MAP kinase p38 gamma Activity -57.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens MAP kinase signal-integrating kinase 2 Activity -15.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Maternal embryonic leucine zipper kinase Activity -89.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Myosin light chain kinase, smooth muscle Activity -10.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens PDZ-binding kinase Activity -21.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens PI3-kinase p110-alpha subunit IC50 10000.0 nM 10.1016/j.bmcl.2016.05.005
Homo sapiens PI3-kinase p110-beta subunit IC50 10000.0 nM 10.1016/j.bmcl.2016.05.005
Homo sapiens PI3-kinase p110-delta subunit IC50 10000.0 nM 10.1016/j.bmcl.2016.05.005
Homo sapiens PI3-kinase p110-gamma subunit IC50 10000.0 nM 10.1016/j.bmcl.2016.05.005
Homo sapiens Protein kinase C alpha Activity -18.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Protein kinase C mu Activity -53.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Protein kinase C zeta Activity -43.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Protein kinase N2 Activity -63.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Ribosomal protein S6 kinase 1 Activity -77.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Ribosomal protein S6 kinase alpha 1 Activity -56.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Ribosomal protein S6 kinase alpha 3 Activity -17.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Ribosomal protein S6 kinase alpha 5 Activity -46.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Serine/threonine-protein kinase AKT Activity -23.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Serine/threonine-protein kinase AKT2 Activity -3.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Serine/threonine-protein kinase Aurora-B Activity -16.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Serine/threonine-protein kinase Aurora-C Activity -15.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Serine/threonine-protein kinase Chk1 Activity -2.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Serine/threonine-protein kinase Chk2 Activity -44.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Serine/threonine-protein kinase c-TAK1 Activity -58.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Serine/threonine-protein kinase EEF2K Activity -1.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Serine/threonine-protein kinase MST2 Activity -33.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Serine/threonine-protein kinase MST4 Activity -4.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Serine/threonine-protein kinase NEK2 Activity 2.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Serine/threonine-protein kinase NEK6 Activity -11.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Serine/threonine-protein kinase NEK7 Activity 4.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Serine/threonine-protein kinase PAK 4 Activity 1.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Serine/threonine-protein kinase PAK6 Activity 3.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Serine/threonine-protein kinase PAK7 Activity 6.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Serine/threonine-protein kinase PIM1 Activity -61.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Serine/threonine-protein kinase PIM2 Activity -25.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Serine/threonine-protein kinase PIM3 Activity -70.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Serine/threonine-protein kinase PLK1 Activity -6.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Serine/threonine-protein kinase Sgk1 Activity -12.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Serine/threonine-protein kinase SRPK1 Activity -12.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Serine/threonine-protein kinase TBK1 Activity -37.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Tyrosine-protein kinase CSK Activity -5.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Tyrosine-protein kinase LCK Activity -5.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Tyrosine-protein kinase SRC Activity 7.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Tyrosine-protein kinase SYK Activity -9.0 % 10.1016/j.bmcl.2016.05.005
Homo sapiens Tyrosine-protein kinase YES Activity -21.0 % 10.1016/j.bmcl.2016.05.005
Rattus norvegicus Rho-associated protein kinase 2 Activity -93.0 % 10.1016/j.bmcl.2016.05.005
None No relevant target Solubility 1000.0 ug.mL-1 10.1016/j.bmcl.2016.05.005

Metabolism Information