Indole-3-carbinol
AlkaPlorer ID: AK000764
Synonym: '', 'Indole-3-methanol', 'Indole-3-carbinol', 'MLS001333162', 'MLSMR', 'MLS001333161', 'SMR000385784'
IUPAC Name: 1H-indol-3-ylmethanol
Structure
SMILES: OCC1=CNC2=CC=CC=C12
InChI: InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2
InChIKey: IVYPNXXAYMYVSP-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Haliclona oculata | Haliclona | Chalinidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 147.17699999999996
TPSA？: 36.02
MolLogP？: 1.6602
Number of H-Donors: 2
Number of H-Acceptors: 1
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus anthracis | Anthrax lethal factor | Potency | 31622.8 | nM | None |
| Electrophorus electricus | Acetylcholinesterase | Inhibition | -4.82 | % | 10.1016/j.bmc.2012.09.040 |
| Equus caballus | Cholinesterase | Inhibition | 9.11 | % | 10.1016/j.bmc.2012.09.040 |
| Escherichia coli K-12 | Beta-lactamase AmpC | Potency | 70794.6 | nM | None |
| Homo sapiens | Estrogen receptor alpha | Potency | 50118.7 | nM | None |
| Homo sapiens | Geminin | Potency | 3264.3 | nM | None |
| Homo sapiens | G-protein coupled receptor 84 | Inhibition | nan | % | 10.1021/acs.jmedchem.6b01593 |
| Homo sapiens | HepG2 | Potency | 35481.3 | nM | None |
| Homo sapiens | Histone deacetylase 6 | Inhibition | 1.64 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | 2.93 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 12589.3 | nM | None |
| Homo sapiens | Importin subunit beta-1/Snurportin-1 | Potency | 35481.3 | nM | None |
| Homo sapiens | Interleukin-8 | Potency | 74978.0 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 66824.2 | nM | None |
| Homo sapiens | Nuclear receptor ROR-gamma | Potency | 9439.2 | nM | None |
| Homo sapiens | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Potency | 25118.9 | nM | None |
| Homo sapiens | Solute carrier organic anion transporter family member 1B1 | Inhibition | 88.32 | % | 10.1124/mol.112.084152 |
| Homo sapiens | Solute carrier organic anion transporter family member 1B3 | Inhibition | 121.9 | % | 10.1124/mol.112.084152 |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 17228.9 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 29092.9 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 38570.8 | nM | None |
| Homo sapiens | U-251 | EC50 | 390000.0 | nM | 10.1016/j.bmcl.2017.02.033 |
| Photinus pyralis | Luciferin 4-monooxygenase | Potency | 66166.0 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 10417.9 | nM | None |
| Plenodomus lingam | Plenodomus lingam | Inhibition | 19.0 | % | 10.1016/j.bmc.2012.05.020 |
| Plenodomus lingam | Plenodomus lingam | Inhibition | 27.0 | % | 10.1016/j.bmc.2012.05.020 |
| Plenodomus lingam | Plenodomus lingam | Inhibition | 52.0 | % | 10.1016/j.bmc.2012.05.020 |
| Rattus norvegicus | Aryl sulfotransferase | Km | 29000.0 | nM | 10.1021/jm010481c |
| Rattus norvegicus | Aryl sulfotransferase | Ratio | 38.9 | None | 10.1021/jm010481c |
| Rattus norvegicus | Aryl sulfotransferase | Vmax | 33.2 | nM min-1 | 10.1021/jm010481c |
| Rattus norvegicus | Canalicular multispecific organic anion transporter 1 | Activity | nan | None | 10.1124/jpet.300.1.97 |
| Rattus norvegicus | Multidrug resistance protein 1 | Activity | nan | None | 10.1124/dmd.30.7.838 |
| Rattus norvegicus | Solute carrier organic anion transporter family member 1A4 | Activity | nan | None | 10.1124/jpet.300.1.206 |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 50118.7 | nM | None |
| Schistosoma mansoni | Thioredoxin glutathione reductase | Potency | 50118.7 | nM | None |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | -27.37 | % | 10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | 5.975 | % | 10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 0.35 | % | 10.6019/CHEMBL4495565 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 0.78 | % | 10.21203/rs.3.rs-23951/v1 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 1.16 | % | 10.6019/CHEMBL4495565 |
| None | NON-PROTEIN TARGET | IC50 | 309000.0 | nM | 10.1016/j.bmc.2013.01.032 |
| None | NON-PROTEIN TARGET | IC50 | 526000.0 | nM | 10.1016/j.bmc.2013.01.032 |
| None | No relevant target | T1/2 | 72.0 | hr | 10.1016/j.bmc.2012.05.020 |
| None | Unchecked | Ac50 | 1.259 | uM | None |
| None | Unchecked | Ac50 | 1.413 | uM | None |
| None | Unchecked | Ac50 | 39.81 | uM | None |
| None | Unchecked | AC50 | 1258.9 | nM | None |
| None | Unchecked | AC50 | 1412.5 | nM | None |
| None | Unchecked | AC50 | 39810.7 | nM | None |
| None | Unchecked | EC50 | 119000.0 | nM | 10.1016/j.bmcl.2017.02.033 |
| None | Unchecked | EC50 | 290000.0 | nM | 10.1016/j.bmcl.2017.02.033 |
| None | Unchecked | EC50 | 950000.0 | nM | 10.1016/j.bmcl.2017.02.033 |
| None | Unchecked | EC50 | 1580000.0 | nM | 10.1016/j.bmcl.2017.02.033 |
| None | Unchecked | Potency | 31622.8 | nM | None |
| None | Unchecked | Potency | 35481.3 | nM | None |