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name Structure Reference Source Properties Activities Metabolism

Propoxur

AlkaPlorer ID: AK036332

Synonym: None

IUPAC Name: (2-propan-2-yloxyphenyl) N-methylcarbamate

Structure

SMILES: CN=C(O)OC1=CC=CC=C1OC(C)C

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InChI: InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)

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InChIKey: ISRUGXGCCGIOQO-UHFFFAOYSA-N

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Reference

PubChem CID: 4944

CAS: 114-26-1

SuperNatural Ⅲ: SN0154320

NPASS: NPC41594

COCONUT: CNP0410468

Source

Species Genus Family Order Class Phylum Kingdom Domain
Myristica fragrans Myristica Myristicaceae Magnoliales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 209.245

TPSA？: 51.05000000000001

MolLogP？: 2.3964000000000008

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Aedes aegypti Aedes aegypti LD50 0.0054 ug 10.1021/acs.jmedchem.8b01060
Aedes aegypti Aedes aegypti mortality 85.0 % 10.1021/acs.jmedchem.8b01060
Anopheles gambiae Acetylcholinesterase IC50 43.6 nM 10.1016/j.bmcl.2015.09.019
Anopheles gambiae Acetylcholinesterase IC50 182.0 nM 10.1016/j.bmcl.2015.09.019
Anopheles gambiae Acetylcholinesterase Inhibition 49.0 % 10.1016/j.bmcl.2012.05.103
Anopheles gambiae Acetylcholinesterase Kinact 266.0 /mM/min 10.1016/j.bmcl.2012.05.103
Anopheles gambiae Anopheles gambiae LC50 32.0 ug.mL-1 10.1016/j.bmcl.2015.09.019
Anopheles gambiae Anopheles gambiae LD50 0.2 ng 10.1016/j.bmcl.2015.09.019
Anopheles gambiae Anopheles gambiae mortality 0.0 % 10.1016/j.bmcl.2015.09.019
Anopheles gambiae Anopheles gambiae mortality 0.24 % 10.1016/j.bmcl.2015.09.019
Anopheles gambiae Anopheles gambiae mortality 39.0 % 10.1016/j.bmcl.2015.09.019
Anopheles gambiae Anopheles gambiae mortality 100.0 % 10.1016/j.ejmech.2017.03.050
Blattella germanica Blattella germanica LT50 20.4 ppm 10.1021/np980406d
Blattella germanica Blattella germanica LT50 34.1 ppm 10.1021/np980406d
Blattella germanica Blattella germanica LT50 47.9 ppm 10.1021/np980406d
Blattella germanica Blattella germanica LT50 181.1 ppm 10.1021/np980406d
Blattella germanica Blattella germanica Ratio 1.7 None 10.1021/np980406d
Blattella germanica Blattella germanica Ratio 3.8 None 10.1021/np980406d
Homo sapiens Acetylcholinesterase IC50 590.0 nM 10.1016/j.bmcl.2015.09.019
Homo sapiens Acetylcholinesterase IC50 2300.0 nM 10.1016/j.bmcl.2015.09.019
Homo sapiens Acetylcholinesterase Ki 17.0 mM/min 10.1016/j.bmc.2015.01.026
Homo sapiens Acetylcholinesterase Kinact 17.0 /mM/min 10.1016/j.bmcl.2012.05.103
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 31622.8 nM None
Homo sapiens Anandamide amidohydrolase Inhibition 13.34 % 10.1016/j.bmcl.2009.09.086
Homo sapiens Cellular tumor antigen p53 Potency 2511.9 nM None
Homo sapiens Chromobox protein homolog 1 Potency 79432.8 nM None
Homo sapiens Geminin Potency 2310.9 nM None
Homo sapiens Histone deacetylase 6 Inhibition 12.37 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 19.41 % 10.6019/CHEMBL4808148
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 103.98 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 109.57 % 10.1124/mol.112.084152
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 29092.9 nM None
Laodelphax striatellus Laodelphax striatellus mortality 16.1 % 10.1271/bbb.56.1467
Laodelphax striatellus Laodelphax striatellus mortality 100.0 % 10.1271/bbb.56.1467
Musca domestica Musca domestica LD50 23.0 mg.kg-1 10.1021/jm800191a
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 1.521 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.2239 None 10.1101/2020.04.21.054387
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.04 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 61.15 % 10.21203/rs.3.rs-23951/v1
None NON-PROTEIN TARGET LC50 39.0 ug.mL-1 10.1016/j.bmc.2015.01.026
None NON-PROTEIN TARGET LC50 39.0 ug.mL-1 10.1016/j.bmcl.2012.05.103
None NON-PROTEIN TARGET LC50 5000.0 ug.mL-1 10.1016/j.bmc.2015.01.026
None NON-PROTEIN TARGET LD50 3.2 ng 10.1016/j.bmcl.2012.05.103
None No relevant target Drug degradation 0.0 % 10.1016/j.bmcl.2015.09.019
None No relevant target Drug degradation 1.0 % 10.1016/j.bmcl.2015.09.019
None No relevant target LogP 1.52 None 10.1021/jm00218a017
None No relevant target LogP 2.23 None 10.1021/jm00218a017
None Unchecked IC50 10000.0 nM 10.1016/j.bmcl.2015.09.019
None Unchecked Ki 0.037 mM/min 10.1016/j.bmc.2015.01.026
None Unchecked Ki 266.0 mM/min 10.1016/j.bmc.2015.01.026
None Unchecked Ratio Ki 16.0 None 10.1016/j.bmcl.2012.05.103
None Unchecked Ratio Ki 7200.0 None 10.1016/j.bmc.2015.01.026
None Unchecked RatioLC50 130.0 None 10.1016/j.bmc.2015.01.026

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT010680 CNC(=O)Oc1ccccc1OC(C)C>>CC(C)Oc1ccccc1O RXN-22493