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isopropyl (4S)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

AlkaPlorer ID: AK333886

Synonym: None

IUPAC Name: propan-2-yl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Structure

SMILES: CC1=C(C(=O)OC(C)C)C(C2=CC=CO2)NC(=O)N1

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InChI: InChI=1S/C13H16N2O4/c1-7(2)19-12(16)10-8(3)14-13(17)15-11(10)9-5-4-6-18-9/h4-7,11H,1-3H3,(H2,14,15,17)

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InChIKey: AMVBLUKTOOTWMN-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 264.28099999999995

TPSA？: 80.57

MolLogP？: 1.8591

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Adenosine A1 receptor Activity 20.0 % 10.1021/acs.jmedchem.5b01586
Homo sapiens Adenosine A1 receptor Inhibition 18.0 % 10.1021/acs.jmedchem.0c01431
Homo sapiens Adenosine A1 receptor Inhibition 18.0 % 10.1021/ml400185v
Homo sapiens Adenosine A1 receptor Inhibition 20.0 % 10.1021/acs.jmedchem.7b00138
Homo sapiens Adenosine A1 receptor Inhibition 20.0 % 10.1021/acs.jmedchem.9b01340
Homo sapiens Adenosine A2a receptor Activity 30.0 % 10.1021/acs.jmedchem.5b01586
Homo sapiens Adenosine A2a receptor Inhibition 23.0 % 10.1021/acs.jmedchem.0c01431
Homo sapiens Adenosine A2a receptor Inhibition 23.0 % 10.1021/ml400185v
Homo sapiens Adenosine A2a receptor Inhibition 30.0 % 10.1021/acs.jmedchem.7b00138
Homo sapiens Adenosine A2a receptor Inhibition 30.0 % 10.1021/acs.jmedchem.9b01340
Homo sapiens Adenosine A2b receptor Ki 40.8 nM 10.1021/acs.jmedchem.0c01431
Homo sapiens Adenosine A2b receptor Ki 40.8 nM 10.1021/acs.jmedchem.5b01586
Homo sapiens Adenosine A2b receptor Ki 40.8 nM 10.1021/acs.jmedchem.7b00138
Homo sapiens Adenosine A2b receptor Ki 40.8 nM 10.1021/acs.jmedchem.9b01340
Homo sapiens Adenosine A2b receptor Ki 40.8 nM 10.1021/ml400185v
Homo sapiens Adenosine A3 receptor Activity 1.0 % 10.1021/acs.jmedchem.5b01586
Homo sapiens Adenosine A3 receptor Inhibition 1.0 % 10.1021/acs.jmedchem.7b00138
Homo sapiens Adenosine A3 receptor Inhibition 1.0 % 10.1021/acs.jmedchem.9b01340
Homo sapiens Adenosine A3 receptor Inhibition 4.0 % 10.1021/acs.jmedchem.0c01431
Homo sapiens Adenosine A3 receptor Inhibition 4.0 % 10.1021/ml400185v
Homo sapiens Bromodomain adjacent to zinc finger domain protein 2B Potency 100000.0 nM None
Homo sapiens DNA polymerase beta Potency 50118.7 nM None
Homo sapiens DNA polymerase eta Potency 12589.3 nM None
Homo sapiens DNA polymerase iota Potency 12589.3 nM None
Homo sapiens Eukaryotic translation initiation factor 4H IC50 34660.0 nM None
Homo sapiens Lethal(3)malignant brain tumor-like protein 1 Potency 22387.2 nM None
Homo sapiens Lysine-specific demethylase 4A Potency 56234.1 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 2238.7 nM None
Homo sapiens Polyadenylate-binding protein 1 IC50 42800.0 nM None
Plasmodium falciparum Plasmodium falciparum Potency 465.4 nM None

Metabolism Information