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name Structure Reference Source Properties Activities Metabolism

benzyl(methyl)(prop-2-yn-1-yl)amine

AlkaPlorer ID: AK110193

Synonym: None

IUPAC Name: N-benzyl-N-methylprop-2-yn-1-amine

Structure

SMILES: C#CCN(C)CC1=CC=CC=C1

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InChI: InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3

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InChIKey: DPWPWRLQFGFJFI-UHFFFAOYSA-N

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Reference

PubChem CID: 4688

CAS: 306-07-0

NPASS: NPC481992

COCONUT: CNP0312462

Properties Information

Molecule Weight: 159.232

TPSA？: 3.24

MolLogP？: 1.7516

Number of H-Donors: 0

Number of H-Acceptors: 1

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Danio rerio Danio rerio Activity nan None 10.1038/nchembio.307
Electrophorus electricus Acetylcholinesterase IC50 nan None 10.1016/j.ejmech.2013.01.039
Electrophorus electricus Acetylcholinesterase IC50 nan None 10.1016/j.ejmech.2019.05.039
Electrophorus electricus Acetylcholinesterase IC50 nan None 10.1039/C7MD00199A
Electrophorus electricus Acetylcholinesterase IC50 nan None 10.1039/c9md00441f
Electrophorus electricus Acetylcholinesterase Inhibition nan % 10.1021/acs.jnatprod.9b00469
Equus caballus Cholinesterase IC50 nan None 10.1016/j.ejmech.2013.01.039
Equus caballus Cholinesterase IC50 nan None 10.1039/C7MD00199A
Equus caballus Cholinesterase IC50 nan None 10.1039/c9md00441f
Equus caballus Cholinesterase Inhibition nan % 10.1021/acs.jnatprod.9b00469
Homo sapiens Acetylcholinesterase AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Acetylcholinesterase IC50 nan None 10.1021/acs.jmedchem.5b00599
Homo sapiens Adenosine A1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Amyloid-beta A4 protein Inhibition nan % 10.1016/j.bmc.2017.08.048
Homo sapiens Amyloid-beta A4 protein Inhibition nan % 10.1016/j.bmcl.2014.12.034
Homo sapiens Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens ATP-binding cassette sub-family G member 2 EC50 1000.0 nM 10.1021/acs.jmedchem.1c00779
Homo sapiens Beta-2 adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bile salt export pump IC50 1000000.0 nM 10.1124/dmd.111.040758
Homo sapiens Bile salt export pump IC50 1000000.0 nM 10.1124/dmd.112.047068
Homo sapiens Butyrylcholinesterase IC50 nan None 10.1016/j.bmc.2016.11.032
Homo sapiens Butyrylcholinesterase IC50 nan None 10.1021/acs.jmedchem.5b00599
Homo sapiens Cannabinoid CB1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cerebroside-sulfatase Potency 7568.6 nM None
Homo sapiens Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cytochrome P450 1A2 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 Potency 631.0 nM None
Homo sapiens Delta opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens DU-145 GI50 218890.0 nM 10.1021/acs.jmedchem.1c00966
Homo sapiens Estrogen receptor alpha AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone deacetylase 6 Inhibition -16.19 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -4.32 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase EZH2 IC50 nan None 10.1016/j.ejmech.2022.114410
Homo sapiens Histone-lysine N-methyltransferase EZH2 Inhibition nan % 10.1016/j.ejmech.2022.114410
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-79 specific IC50 nan None 10.1016/j.ejmech.2022.114410
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-79 specific Inhibition nan % 10.1016/j.ejmech.2022.114410
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 26679.5 nM None
Homo sapiens Kappa opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Lysine-specific histone demethylase 1 Inhibition 23.0 % 10.1021/jm400792m
Homo sapiens Lysine-specific histone demethylase 1 Inhibition 69.8 % 10.1039/c1md00220a
Homo sapiens Monoamine oxidase A AC50 3110.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A AC50 5801.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A Activity 0.9 % 10.1016/j.bmcl.2016.01.034
Homo sapiens Monoamine oxidase A Activity 0.9 % 10.1016/j.bmcl.2022.128746
Homo sapiens Monoamine oxidase A Activity 1.0 % 10.1016/j.bmcl.2013.01.003
Homo sapiens Monoamine oxidase A Activity 1.2 % 10.1016/j.bmcl.2015.09.049
Homo sapiens Monoamine oxidase A Activity 1.6 % 10.1016/j.bmcl.2014.04.021
Homo sapiens Monoamine oxidase A Activity 1.7 % 10.1016/j.bmcl.2016.08.067
Homo sapiens Monoamine oxidase A IC50 11.52 nM 10.1016/j.ejmech.2017.07.008
Homo sapiens Monoamine oxidase A IC50 1100.0 nM 10.1039/C7MD00199A
Homo sapiens Monoamine oxidase A IC50 1310.0 nM 10.1039/C8MD00399H
Homo sapiens Monoamine oxidase A IC50 2000.0 nM 10.1016/j.bmcl.2016.08.044
Homo sapiens Monoamine oxidase A IC50 2000.0 nM 10.1016/j.bmcl.2018.01.049
Homo sapiens Monoamine oxidase A IC50 3368.0 nM 10.1016/j.bmc.2016.11.032
Homo sapiens Monoamine oxidase A IC50 3390.0 nM 10.1021/jm400792m
Homo sapiens Monoamine oxidase A IC50 3520.0 nM 10.1016/j.bmc.2017.08.048
Homo sapiens Monoamine oxidase A IC50 3521.0 nM 10.1016/j.ejmech.2017.07.008
Homo sapiens Monoamine oxidase A IC50 3967.9 nM 10.1021/acs.jmedchem.9b01886
Homo sapiens Monoamine oxidase A IC50 4100.0 nM 10.1021/acs.jmedchem.5b00599
Homo sapiens Monoamine oxidase A IC50 4600.0 nM 10.1016/j.bmc.2021.116255
Homo sapiens Monoamine oxidase A IC50 10900.0 nM 10.1021/acs.jmedchem.6b00562
Homo sapiens Monoamine oxidase A IC50 12970.0 nM 10.1016/j.bmcl.2013.01.003
Homo sapiens Monoamine oxidase A IC50 13000.0 nM 10.1016/j.bmcl.2016.08.067
Homo sapiens Monoamine oxidase A IC50 13000.0 nM 10.1016/j.ejmech.2017.04.055
Homo sapiens Monoamine oxidase A IC50 15600.0 nM 10.1016/j.bmcl.2022.128746
Homo sapiens Monoamine oxidase A IC50 20000.0 nM 10.1016/j.bmcl.2019.01.016
Homo sapiens Monoamine oxidase A IC50 nan None 10.1016/j.bmc.2015.04.009
Homo sapiens Monoamine oxidase A IC50 nan None 10.1016/j.bmc.2019.03.060
Homo sapiens Monoamine oxidase A IC50 nan None 10.1016/j.ejmech.2013.01.039
Homo sapiens Monoamine oxidase A IC50 nan None 10.1016/j.ejmech.2017.08.025
Homo sapiens Monoamine oxidase A IC50 nan None 10.1016/j.ejmech.2019.05.039
Homo sapiens Monoamine oxidase A IC50 nan None 10.1016/j.ejmech.2020.113112
Homo sapiens Monoamine oxidase A IC50 nan None 10.1016/j.ejmech.2022.114410
Homo sapiens Monoamine oxidase A IC50 nan None 10.1021/acs.jnatprod.9b00469
Homo sapiens Monoamine oxidase A IC50 nan None 10.1039/C5MD00124B
Homo sapiens Monoamine oxidase A IC50 nan None 10.1039/c9md00441f
Homo sapiens Monoamine oxidase A Inhibition 0.1 % 10.1016/j.ejmech.2017.04.055
Homo sapiens Monoamine oxidase A Inhibition 60.0 % 10.1021/np070690l
Homo sapiens Monoamine oxidase A Inhibition nan % 10.1016/j.bmc.2013.09.050
Homo sapiens Monoamine oxidase A Inhibition nan % 10.1016/j.bmcl.2014.12.034
Homo sapiens Monoamine oxidase A Inhibition nan % 10.1016/j.ejmech.2022.114410
Homo sapiens Monoamine oxidase A Ki nan None 10.1016/j.bmcl.2019.01.016
Homo sapiens Monoamine oxidase B Activity 3.4 % 10.1016/j.bmcl.2015.09.049
Homo sapiens Monoamine oxidase B Activity 10.0 % 10.1016/j.bmc.2016.02.023
Homo sapiens Monoamine oxidase B Activity 10.0 % 10.1016/j.ejmech.2017.07.055
Homo sapiens Monoamine oxidase B Activity 10.0 % 10.1016/j.ejmech.2020.112475
Homo sapiens Monoamine oxidase B Activity 17.4 % 10.1016/j.bmcl.2018.01.049
Homo sapiens Monoamine oxidase B Activity 24.0 % 10.1016/j.bmcl.2018.01.049
Homo sapiens Monoamine oxidase B Activity 27.9 % 10.1039/C8MD00399H
Homo sapiens Monoamine oxidase B Activity 32.0 % 10.1039/C8MD00399H
Homo sapiens Monoamine oxidase B Delta Tm 12.3 degrees C 10.1016/j.bmc.2014.12.063
Homo sapiens Monoamine oxidase B IC50 8.2 nM 10.1016/j.ejmech.2017.07.008
Homo sapiens Monoamine oxidase B IC50 48.0 nM 10.1016/j.ejmech.2022.114410
Homo sapiens Monoamine oxidase B IC50 75.2 nM 10.1039/C7MD00199A
Homo sapiens Monoamine oxidase B IC50 80.0 nM 10.1016/j.ejmech.2020.113112
Homo sapiens Monoamine oxidase B IC50 85.8 nM 10.1016/j.ejmech.2019.07.031
Homo sapiens Monoamine oxidase B IC50 91.0 nM 10.1039/C8MD00399H
Homo sapiens Monoamine oxidase B IC50 100.0 nM 10.1016/j.bmcl.2019.01.016
Homo sapiens Monoamine oxidase B IC50 103.0 nM 10.1016/j.bmcl.2016.08.044
Homo sapiens Monoamine oxidase B IC50 107.3 nM 10.1016/j.bmc.2020.115550
Homo sapiens Monoamine oxidase B IC50 120.0 nM 10.1016/j.bmcl.2018.01.049
Homo sapiens Monoamine oxidase B IC50 120.0 nM 10.1039/c9md00441f
Homo sapiens Monoamine oxidase B IC50 130.0 nM 10.1021/acs.jmedchem.5b00599
Homo sapiens Monoamine oxidase B IC50 130.0 nM 10.1021/jm400792m
Homo sapiens Monoamine oxidase B IC50 150.0 nM 10.1016/j.ejmech.2019.05.039
Homo sapiens Monoamine oxidase B IC50 188.0 nM 10.1016/j.bmc.2013.09.050
Homo sapiens Monoamine oxidase B IC50 188.0 nM 10.1016/j.bmc.2015.04.009
Homo sapiens Monoamine oxidase B IC50 188.0 nM 10.1016/j.ejmech.2013.01.039
Homo sapiens Monoamine oxidase B IC50 188.0 nM 10.1016/j.ejmech.2017.08.025
Homo sapiens Monoamine oxidase B IC50 192.0 nM 10.1016/j.bmcl.2014.12.034
Homo sapiens Monoamine oxidase B IC50 194.0 nM 10.1016/j.ejmech.2017.07.008
Homo sapiens Monoamine oxidase B IC50 195.0 nM 10.1016/j.bmc.2016.11.032
Homo sapiens Monoamine oxidase B IC50 195.5 nM 10.1021/acs.jmedchem.9b01886
Homo sapiens Monoamine oxidase B IC50 198.5 nM 10.1039/C5MD00124B
Homo sapiens Monoamine oxidase B IC50 200.0 nM 10.1016/j.bmc.2017.08.048
Homo sapiens Monoamine oxidase B IC50 220.0 nM 10.1016/j.bmc.2019.115156
Homo sapiens Monoamine oxidase B IC50 220.0 nM 10.1016/j.bmc.2021.116255
Homo sapiens Monoamine oxidase B IC50 782.0 nM 10.1016/j.bmcl.2022.128746
Homo sapiens Monoamine oxidase B IC50 2600.0 nM 10.1016/j.ejmech.2009.02.031
Homo sapiens Monoamine oxidase B IC50 2690.0 nM 10.1021/acs.jmedchem.6b00562
Homo sapiens Monoamine oxidase B IC50 5000.0 nM 10.1016/j.bmc.2019.03.060
Homo sapiens Monoamine oxidase B Inhibition 0.14 % 10.1021/acs.jnatprod.9b00469
Homo sapiens Monoamine oxidase B Inhibition 10.0 % 10.1016/j.ejmech.2015.03.040
Homo sapiens Monoamine oxidase B Inhibition 53.0 % 10.1016/j.bmc.2020.115550
Homo sapiens Monoamine oxidase B Inhibition 56.6 % 10.1016/j.bmc.2013.09.050
Homo sapiens Monoamine oxidase B Inhibition 56.6 % 10.1016/j.ejmech.2013.01.039
Homo sapiens Monoamine oxidase B Inhibition 60.3 % 10.1016/j.bmc.2013.09.050
Homo sapiens Monoamine oxidase B Inhibition 60.3 % 10.1016/j.ejmech.2013.01.039
Homo sapiens Monoamine oxidase B Inhibition 98.2 % 10.1021/np070690l
Homo sapiens Monoamine oxidase B Inhibition nan % 10.1016/j.bmcl.2014.12.034
Homo sapiens Monoamine oxidase B Inhibition nan % 10.1016/j.ejmech.2017.07.008
Homo sapiens Monoamine oxidase B Inhibition nan % 10.1016/j.ejmech.2022.114410
Homo sapiens Monoamine oxidase B Inhibition nan % 10.1021/acs.jmedchem.1c01784
Homo sapiens Monoamine oxidase B Inhibition nan % 10.1039/C5MD00357A
Homo sapiens Monoamine oxidase B Inhibition nan % 10.1039/c9md00441f
Homo sapiens Monoamine oxidase B Kd 275.4 nM 10.1016/j.bmc.2014.12.063
Homo sapiens Monoamine oxidase B Ki 20.3 nM 10.1016/j.bmc.2014.12.063
Homo sapiens Monoamine oxidase B Ki 49.5 nM 10.1016/j.bmc.2014.12.063
Homo sapiens Monoamine oxidase B Ki 1800.0 nM 10.1016/j.bmcl.2005.07.043
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens N-lysine methyltransferase SETD8 IC50 nan None 10.1016/j.ejmech.2022.114410
Homo sapiens N-lysine methyltransferase SETD8 Inhibition nan % 10.1016/j.ejmech.2022.114410
Homo sapiens Norepinephrine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens PC-3 GI50 196970.0 nM 10.1021/acs.jmedchem.1c00966
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4D AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Plasma fCmax 0.162 uM 10.1124/dmd.111.040758
Homo sapiens Prelamin-A/C Potency 8912.5 nM None
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Protein-arginine N-methyltransferase 1 IC50 nan None 10.1016/j.ejmech.2022.114410
Homo sapiens Protein-arginine N-methyltransferase 1 Inhibition nan % 10.1016/j.ejmech.2022.114410
Homo sapiens Pyrroline-5-carboxylate reductase 1, mitochondrial IC50 198000.0 nM 10.1016/j.bmcl.2019.07.047
Homo sapiens Pyrroline-5-carboxylate reductase 1, mitochondrial Inhibition 50.0 % 10.1016/j.bmcl.2019.07.047
Homo sapiens Pyrroline-5-carboxylate reductase 1, mitochondrial Inhibition nan % 10.1016/j.bmcl.2019.07.047
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2c (5-HT2c) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 3a (5-HT3a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens SUM-159-PT Activity nan None 10.1016/j.bmcl.2019.07.047
Homo sapiens Thrombin AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thyroid stimulating hormone receptor Potency 125.9 nM None
Homo sapiens Thyroid stimulating hormone receptor Potency 7943.3 nM None
Homo sapiens U-251 Activity 61.5 % 10.1016/j.ejmech.2019.07.031
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 2 Potency 5011.9 nM None
Mus musculus Acetylcholinesterase IC50 nan None 10.1016/j.bmc.2016.11.032
Mus musculus Mus musculus Activity 3.81 None 10.1016/j.bmc.2020.115550
Mus musculus Mus musculus Activity 4.37 m 10.1016/j.bmc.2020.115550
Mus musculus Mus musculus Activity 6.6 m 10.1016/j.ejmech.2019.07.031
Mus musculus Mus musculus Activity 16.3 None 10.1016/j.ejmech.2019.07.031
Mus musculus Mus musculus Activity nan None 10.1016/j.ejmech.2017.07.008
Mus musculus Mus musculus ED50 13.6 mg.kg-1 10.1021/jm00401a031
Mus musculus Mus musculus ED50 37.1 mg.kg-1 10.1021/jm00401a031
Mus musculus Mus musculus Inhibition 60.0 % 10.1021/jm00202a021
Mus musculus Mus musculus LD50 400.0 mg.kg-1 10.1021/jm00401a031
Mus musculus Mus musculus TIME 0.001556 hr 10.1016/j.ejmech.2019.07.031
Mus musculus Mus musculus TIME 0.005792 hr 10.1016/j.bmc.2020.115550
Rattus norvegicus Aldehyde dehydrogenase IC50 5600.0 nM 10.1021/np9703104
Rattus norvegicus Aldehyde dehydrogenase 1A1 Activity 0.98 None 10.1021/jm00180a018
Rattus norvegicus Aldehyde dehydrogenase 1A1 Activity 1.36 None 10.1021/jm00180a018
Rattus norvegicus Aldehyde dehydrogenase 1A1 Activity 1.48 nmol of acetaldehyde(AcH) oxide per minute per mg of protein 10.1021/jm00376a019
Rattus norvegicus Aldehyde dehydrogenase 1A1 Activity 13.0 % 10.1021/jm00376a019
Rattus norvegicus Aldehyde dehydrogenase 1A1 Activity 100.0 % 10.1021/jm00376a019
Rattus norvegicus Aldehyde dehydrogenase 1A1 Activity 107.0 % 10.1021/jm00376a019
Rattus norvegicus Aldehyde dehydrogenase 1A1 Inhibition 88.0 % 10.1021/jm00180a018
Rattus norvegicus Aldehyde dehydrogenase 1A1 Inhibition 90.0 % 10.1021/jm00180a018
Rattus norvegicus Aldehyde dehydrogenase, cytosolic 1 IC50 300000.0 nM 10.1021/np9703104
Rattus norvegicus Bile salt export pump IC50 1000000.0 nM 10.1124/dmd.111.040758
Rattus norvegicus GABA receptor alpha-1 subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glutamate (NMDA) receptor subunit zeta 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Monoamine oxidase A IC50 390200.0 nM 10.1016/j.bmc.2007.06.004
Rattus norvegicus Monoamine oxidase A IC50 390200.0 nM 10.1016/j.bmc.2008.11.068
Rattus norvegicus Monoamine oxidase A IC50 390200.0 nM 10.1016/j.bmcl.2008.10.084
Rattus norvegicus Monoamine oxidase A Ki 8500.0 nM 10.1016/j.bmc.2008.11.068
Rattus norvegicus Monoamine oxidase B IC50 220.0 nM 10.1021/acs.jnatprod.8b00677
Rattus norvegicus Monoamine oxidase B IC50 2850.0 nM 10.1016/j.bmc.2007.06.004
Rattus norvegicus Monoamine oxidase B IC50 3850.0 nM 10.1016/j.bmc.2008.11.068
Rattus norvegicus Monoamine oxidase B IC50 3850.0 nM 10.1016/j.bmcl.2008.10.084
Rattus norvegicus Monoamine oxidase B Ki 3360.0 nM 10.1016/j.bmc.2008.11.068
Rattus norvegicus Rattus norvegicus Activity nan None 10.1021/jm00191a001
Rattus norvegicus Rattus norvegicus Blood AcH 224.0 uM 10.1021/jm00180a018
Rattus norvegicus Rattus norvegicus Blood AcH 247.0 uM 10.1021/jm00180a018
Rattus norvegicus Rattus norvegicus Propioaldehyde generated 0.61 uM 10.1021/jm00180a018
Rattus norvegicus Rattus norvegicus Propioaldehyde generated 2.58 uM 10.1021/jm00180a018
Rattus norvegicus Rattus norvegicus T/C 20.2 None 10.1021/jm00180a018
Rattus norvegicus Rattus norvegicus T/C 32.5 None 10.1021/jm00180a018
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 13.6 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.1862 None 10.1101/2020.04.21.054387
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.44 % 10.6019/CHEMBL4495565
Trypanosoma brucei 6-phospho-1-fructokinase Potency 37933.0 nM None
None Hepatotoxicity DILI positive/negative 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx1000865
None Hepatotoxicity Hepatotoxicity nan None 10.1124/dmd.110.035113
None NON-PROTEIN TARGET Survival 59.12 % 10.1039/C6MD00170J
None NON-PROTEIN TARGET Survival 77.71 % 10.1039/C6MD00170J
None NON-PROTEIN TARGET Survival 85.05 % 10.1039/C6MD00170J
None NON-PROTEIN TARGET Survival 96.69 % 10.1039/C6MD00170J
None No relevant target Activity nan None 10.1016/j.bmc.2015.04.009
None No relevant target Activity nan None 10.1016/j.ejmech.2017.08.025
None Phospholipidosis Phospholipidosis nan None 10.1080/15376510701857262
None Unchecked Activity 54.0 % 10.1016/j.bmcl.2013.03.117
None Unchecked Activity nan None 10.1016/j.bmcl.2013.03.117
None Unchecked IC50 1200.0 nM 10.1021/jm00202a021
None Unchecked Ki 3250.0 nM 10.1016/j.bmcl.2008.10.084
None Unchecked Ratio IC50 14.4 None 10.1039/C8MD00399H
None Unchecked Ratio IC50 14.6 None 10.1039/C7MD00199A
None Unchecked Ratio IC50 17.27 None 10.1016/j.bmc.2016.11.032
None Unchecked Ratio IC50 17.6 None 10.1016/j.bmc.2017.08.048
None Unchecked Ratio IC50 18.15 None 10.1016/j.ejmech.2017.07.008
None Unchecked Ratio IC50 20.0 None 10.1016/j.bmcl.2022.128746
None Unchecked Ratio IC50 20.0 None 10.1021/acs.jmedchem.9b01886
None Unchecked Ratio IC50 nan None 10.1016/j.bmc.2019.03.060
None Unchecked Ratio IC50 nan None 10.1039/C7MD00199A
None Unchecked Selectivity Index 21.0 None 10.1016/j.bmc.2021.116255
None Unchecked Selectivity Index nan None 10.1016/j.ejmech.2020.113112

Metabolism Information