Navigation

name Structure Reference Source Properties Activities Metabolism

Oxidopamine

AlkaPlorer ID: AK003111

Synonym: None

IUPAC Name: 5-(2-aminoethyl)benzene-1,2,4-triol

Structure

SMILES: NCCC1=CC(O)=C(O)C=C1O

copy

InChI: InChI=1S/C8H11NO3/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,10-12H,1-2,9H2

copy

InChIKey: DIVDFFZHCJEHGG-UHFFFAOYSA-N

copy

Reference

PubChem CID: 4624

CAS: 1199-18-4

SuperNatural Ⅲ: SN0066896

NPASS: NPC318777

COCONUT: CNP0204441

Source

Species Genus Family Order Class Phylum Kingdom Domain
Homo sapiens Homo Hominidae Primates Mammalia Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 169.17999999999998

TPSA？: 86.71000000000001

MolLogP？: 0.3045999999999998

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 6309.6 nM None
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Potency 5610.1 nM None
Homo sapiens ATP-dependent DNA helicase Q1 Potency 8912.5 nM None
Homo sapiens ATP-dependent DNA helicase Q1 Potency 125892.5 nM None
Homo sapiens Bloom syndrome protein Potency 14125.4 nM None
Homo sapiens Catechol O-methyltransferase Inhibition nan % 10.1016/j.bmcl.2023.129286
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 398.1 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 562.3 nM None
Homo sapiens DNA polymerase kappa Potency 1500.3 nM None
Homo sapiens DNA repair protein RAD52 homolog IC50 779.0 nM None
Homo sapiens DNA repair protein RAD52 homolog IC50 nan None None
Homo sapiens Glyceraldehyde-3-phosphate dehydrogenase liver IC50 8000.0 nM 10.1038/nchembio833
Homo sapiens Histone deacetylase 6 Inhibition -33.51 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -4.38 % 10.6019/CHEMBL4808148
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 28183.8 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 35481.3 nM None
Homo sapiens Runt-related transcription factor 1/Core-binding factor subunit beta Potency 631.0 nM None
Homo sapiens Runt-related transcription factor 1/Core-binding factor subunit beta Potency 22387.2 nM None
Homo sapiens Runt-related transcription factor 1/Core-binding factor subunit beta Potency 35481.3 nM None
Homo sapiens SH-SY5Y Activity nan None 10.1021/acs.jmedchem.1c00252
Homo sapiens Thyroid hormone receptor beta-1 Potency 39810.7 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 316.2 nM None
Homo sapiens Vitamin D receptor Potency 56234.1 nM None
Mus musculus Glyceraldehyde-3-phosphate dehydrogenase Inhibition nan % 10.1038/nchembio833
Mus musculus Mus musculus Control 3.8 % 10.1021/jm00020a024
Mus musculus Mus musculus Control 5.3 % 10.1021/jm00020a024
Mus musculus Mus musculus Control 6.9 % 10.1021/jm00020a024
Mus musculus Mus musculus Control 9.0 % 10.1021/jm00020a024
Mus musculus Mus musculus Control 18.0 % 10.1021/jm00020a024
Mus musculus Mus musculus Control 23.0 % 10.1021/jm00020a024
Mus musculus Mus musculus Control 25.0 % 10.1021/jm00020a024
Mus musculus Mus musculus Control 35.0 % 10.1021/jm00020a024
Mus musculus Mus musculus Control 40.0 % 10.1021/jm00020a024
Mus musculus Mus musculus Control 47.0 % 10.1021/jm00020a024
Mus musculus Mus musculus Control 53.0 % 10.1021/jm00020a024
Mus musculus Mus musculus Control 70.0 % 10.1021/jm00020a024
Mus musculus Mus musculus Control 71.0 % 10.1021/jm00020a024
Mus musculus Mus musculus Control 72.0 % 10.1021/jm00020a024
Mus musculus Mus musculus Control 76.0 % 10.1021/jm00020a024
Mus musculus Mus musculus Control 79.0 % 10.1021/jm00020a024
Mus musculus Mus musculus Control 82.0 % 10.1021/jm00020a024
Mus musculus Mus musculus Control 86.0 % 10.1021/jm00020a024
Mus musculus Mus musculus Control 88.0 % 10.1021/jm00020a024
Mus musculus Mus musculus Control 89.0 % 10.1021/jm00020a024
Mus musculus Mus musculus Control 90.0 % 10.1021/jm00020a024
Mus musculus Mus musculus Control 97.0 % 10.1021/jm00020a024
Mus musculus Mus musculus Control 103.0 % 10.1021/jm00020a024
Mus musculus Mus musculus Control 109.0 % 10.1021/jm00020a024
Mus musculus Mus musculus Control 116.0 % 10.1021/jm00020a024
Mus musculus Mus musculus Control 151.0 % 10.1021/jm00020a024
Mus musculus Mus musculus Control 158.0 % 10.1021/jm00020a024
Mus musculus Mus musculus d50 34.3 nM 10.1021/jm00020a024
Mus musculus Mus musculus d50 831.0 nM 10.1021/jm00020a024
Mus musculus Mus musculus d50 1929.0 nM 10.1021/jm00020a024
Mus musculus Mus musculus ED50 6.8 umol.kg-1 10.1021/jm00215a011
Mus musculus Mus musculus LD50 80.0 ug 10.1021/jm00154a013
Mus musculus Mus musculus Log d50 1.53 nM 10.1021/jm00020a024
Mus musculus Mus musculus Log d50 2.92 nM 10.1021/jm00020a024
Mus musculus Mus musculus Log d50 3.28 nM 10.1021/jm00020a024
Oryctolagus cuniculus Glyceraldehyde-3-phosphate dehydrogenase Activity nan None 10.1038/nchembio833
Rattus norvegicus Dopamine transporter Ki 12.0 nM 10.1021/jm00020a024
Rattus norvegicus Norepinephrine transporter Ki 51.0 nM 10.1021/jm00020a024
Rattus norvegicus PC-12 EC50 105800.0 nM 10.1074/jbc.m603712200
Rattus norvegicus Rattus norvegicus Activity 1.6 10'-5g 10.1021/jm00197a008
Rattus norvegicus Rattus norvegicus Activity nan None 10.1021/jm00197a008
Rattus norvegicus Rattus norvegicus EC50 60000.0 nM 10.1021/jm00020a024
Rattus norvegicus Rattus norvegicus EC50 828000.0 nM 10.1021/jm00020a024
Rattus norvegicus Rattus norvegicus Inhibition 45.0 % 10.1021/jm00370a014
Rattus norvegicus Rattus norvegicus Inhibition 68.0 % 10.1021/jm00370a014
Rattus norvegicus Rattus norvegicus Inhibition 74.0 % 10.1021/jm00370a014
Rattus norvegicus Rattus norvegicus Inhibition 79.0 % 10.1021/jm00370a014
Rattus norvegicus Rattus norvegicus Inhibition 85.0 % 10.1021/jm00370a014
Rattus norvegicus Rattus norvegicus Inhibition 87.0 % 10.1021/jm00370a014
Rattus norvegicus Serotonin (5-HT) receptor pA2 nan None 10.1021/jm00183a006
None ADMET Activity 4.06 % 10.1021/acs.jmedchem.1c00252
None ADMET Activity 48.56 % 10.1021/acs.jmedchem.1c00252
None No relevant target Drug degradation 40.0 % 10.1016/j.bmcl.2023.129286
None No relevant target pKa 10.3 None 10.1021/jm070524a
None Phospholipidosis Phospholipidosis nan None 10.1021/ci6004542
None Phospholipidosis Phospholipidosis nan None 10.1021/mp100103e
None Unchecked Potency 62.8 nM None
None Unchecked Potency 316.2 nM None
None Unchecked Potency 100000.0 nM None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT004650 CC(=O)[CoA].NCCc1cc(O)c(O)cc1O>>CC(=O)NCCc1cc(O)c(O)cc1O enzymemap_32424