anisomycin
AlkaPlorer ID: AK011366
Synonym: None
IUPAC Name: [(2R,3S,4S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl] acetate
Structure
SMILES: COC1=CC=C(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)C=C1
InChI: InChI=1S/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13+,14+/m1/s1
InChIKey: YKJYKKNCCRKFSL-RDBSUJKOSA-N
Reference
Anisomycin and new congeners active against human tumor cell lines.
PubChem CID: 253602
CAS: 11023-48-6
LOTUS: LTS0195167
SuperNatural Ⅲ: SN0452788-07
NPASS: NPC204546
{NPAtlas: NPA017379
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 265.309
TPSA？: 67.78999999999999
MolLogP？: 0.5020999999999994
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Actinomyces israelii | Actinomyces israelii | Inhibitory zone | 0.0 | mM | 10.1021/jm00358a003 |
| Bacteroides fragilis | Bacteroides fragilis | Inhibitory zone | 0.0 | mM | 10.1021/jm00358a003 |
| Bacteroides fragilis | Bacteroides fragilis | Inhibitory zone | 10.0 | mM | 10.1021/jm00358a003 |
| Bos taurus | Progesterone receptor | IC50 | nan | None | None |
| Bos taurus | Progesterone receptor | Ki | nan | None | None |
| Candida albicans | Candida albicans | Inhibition | 99.0 | % | 10.1016/j.bmcl.2005.06.004 |
| Candida albicans | Candida albicans | Inhibition | nan | % | 10.1016/j.bmcl.2005.06.004 |
| Candida albicans | Candida albicans | Inhibitory zone | 0.0 | mM | 10.1021/jm00358a003 |
| Candida albicans | Candida albicans | Inhibitory zone | nan | None | 10.1021/jm00358a003 |
| Candida albicans | Candida albicans | MIC | 4.0 | ug.mL-1 | 10.1021/jm00358a003 |
| Candida albicans | Candida albicans | MIC | 8.0 | ug.mL-1 | 10.1021/jm00358a003 |
| Candida albicans (strain WO-1) (Yeast) | ATP-dependent molecular chaperone HSP82 | EC50 | 1481.0 | nM | None |
| Cavia porcellus | Leukotriene C4 synthase | IC50 | nan | None | None |
| Cavia porcellus | Leukotriene C4 synthase | Ki | nan | None | None |
| Cavia porcellus | Serotonin 4 (5-HT4) receptor | IC50 | nan | None | None |
| Cavia porcellus | Serotonin 4 (5-HT4) receptor | Ki | nan | None | None |
| Chlorocebus sabaeus | Vero C1008 | CC50 | 100.0 | nM | 10.6019/CHEMBL4495565 |
| Chlorocebus sabaeus | Vero C1008 | CC50 | 390.0 | nM | 10.1101/2020.03.25.008482 |
| Clostridium novyi | Clostridium novyi | Inhibitory zone | 0.0 | mM | 10.1021/jm00358a003 |
| Cutibacterium acnes | Cutibacterium acnes | Inhibitory zone | 0.0 | mM | 10.1021/jm00358a003 |
| Electrophorus electricus | Acetylcholinesterase | Inhibition | -1.2 | % | 10.1016/j.bmc.2012.09.040 |
| Entamoeba histolytica | Entamoeba histolytica | Concentration | 0.25 | ug ml-1 | 10.1021/jm00358a003 |
| Entamoeba histolytica | Entamoeba histolytica | Concentration | 0.5 | ug ml-1 | 10.1021/jm00358a003 |
| Entamoeba histolytica | Entamoeba histolytica | Concentration | 1.0 | ug ml-1 | 10.1021/jm00358a003 |
| Entamoeba histolytica | Entamoeba histolytica | Concentration | 2.0 | ug ml-1 | 10.1021/jm00358a003 |
| Entamoeba histolytica | Entamoeba histolytica | Concentration | 4.0 | ug ml-1 | 10.1021/jm00358a003 |
| Entamoeba histolytica | Entamoeba histolytica | Concentration | nan | None | 10.1021/jm00358a003 |
| Epidermophyton floccosum | Epidermophyton floccosum | Inhibitory zone | 8.0 | mM | 10.1021/jm00358a003 |
| Epidermophyton floccosum | Epidermophyton floccosum | MIC | 16.0 | ug.mL-1 | 10.1021/jm00358a003 |
| Epidermophyton floccosum | Epidermophyton floccosum | MIC | 32.0 | ug.mL-1 | 10.1021/jm00358a003 |
| Equus caballus | Cholinesterase | Inhibition | -3.31 | % | 10.1016/j.bmc.2012.09.040 |
| Giardia | Giardia | Potency | 584.8 | nM | None |
| Giardia | Giardia | Potency | 649.7 | nM | None |
| Homo sapiens | 786-0 | GI50 | 18.03 | nM | None |
| Homo sapiens | A498 | GI50 | 32.36 | nM | None |
| Homo sapiens | A549 | GI50 | 23.17 | nM | None |
| Homo sapiens | Acetylcholinesterase | IC50 | nan | None | None |
| Homo sapiens | Acetylcholinesterase | Ki | nan | None | None |
| Homo sapiens | ACHN | GI50 | 14.39 | nM | None |
| Homo sapiens | Adenosine A1 receptor | IC50 | nan | None | None |
| Homo sapiens | Adenosine A1 receptor | Ki | nan | None | None |
| Homo sapiens | Adenosine A2a receptor | IC50 | nan | None | None |
| Homo sapiens | Adenosine A2a receptor | Ki | nan | None | None |
| Homo sapiens | Adenosine A3 receptor | IC50 | nan | None | None |
| Homo sapiens | Adenosine A3 receptor | Ki | nan | None | None |
| Homo sapiens | Alpha-1d adrenergic receptor | IC50 | nan | None | None |
| Homo sapiens | Alpha-1d adrenergic receptor | Ki | nan | None | None |
| Homo sapiens | Alpha-2a adrenergic receptor | IC50 | nan | None | None |
| Homo sapiens | Alpha-2a adrenergic receptor | Ki | nan | None | None |
| Homo sapiens | Alpha-2b adrenergic receptor | IC50 | nan | None | None |
| Homo sapiens | Alpha-2b adrenergic receptor | Ki | nan | None | None |
| Homo sapiens | Alpha-2c adrenergic receptor | IC50 | nan | None | None |
| Homo sapiens | Alpha-2c adrenergic receptor | Ki | nan | None | None |
| Homo sapiens | Alpha-synuclein | Potency | 28183.8 | nM | None |
| Homo sapiens | Angiotensin II type 2 (AT-2) receptor | IC50 | nan | None | None |
| Homo sapiens | Angiotensin II type 2 (AT-2) receptor | Ki | nan | None | None |
| Homo sapiens | Ataxin-2 | Potency | 100.0 | nM | None |
| Homo sapiens | ATPase family AAA domain-containing protein 5 | Potency | 11.2 | nM | None |
| Homo sapiens | ATPase family AAA domain-containing protein 5 | Potency | 12.6 | nM | None |
| Homo sapiens | ATPase family AAA domain-containing protein 5 | Potency | 25.0 | nM | None |
| Homo sapiens | ATPase family AAA domain-containing protein 5 | Potency | 50.0 | nM | None |
| Homo sapiens | ATPase family AAA domain-containing protein 5 | Potency | 56.1 | nM | None |
| Homo sapiens | Beta-1 adrenergic receptor | IC50 | nan | None | None |
| Homo sapiens | Beta-1 adrenergic receptor | Ki | nan | None | None |
| Homo sapiens | Beta-2 adrenergic receptor | IC50 | nan | None | None |
| Homo sapiens | Beta-2 adrenergic receptor | Ki | nan | None | None |
| Homo sapiens | Beta-3 adrenergic receptor | IC50 | nan | None | None |
| Homo sapiens | Beta-3 adrenergic receptor | Ki | nan | None | None |
| Homo sapiens | BJ | EC50 | 30.8 | nM | None |
| Homo sapiens | Bradykinin B2 receptor | IC50 | nan | None | None |
| Homo sapiens | Bradykinin B2 receptor | Ki | nan | None | None |
| Homo sapiens | BT-549 | GI50 | 41.11 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 10.64 | nM | None |
| Homo sapiens | Calcitonin receptor | IC50 | nan | None | None |
| Homo sapiens | Calcitonin receptor | Ki | nan | None | None |
| Homo sapiens | Cannabinoid CB1 receptor | IC50 | nan | None | None |
| Homo sapiens | Cannabinoid CB1 receptor | Ki | nan | None | None |
| Homo sapiens | Carbonic anhydrase II | IC50 | nan | None | None |
| Homo sapiens | Carbonic anhydrase II | Ki | nan | None | None |
| Homo sapiens | Caspase-1 | IC50 | nan | None | None |
| Homo sapiens | Caspase-1 | Ki | nan | None | None |
| Homo sapiens | Cathepsin G | IC50 | nan | None | None |
| Homo sapiens | Cathepsin G | Ki | nan | None | None |
| Homo sapiens | C-C chemokine receptor type 2 | IC50 | nan | None | None |
| Homo sapiens | C-C chemokine receptor type 2 | Ki | nan | None | None |
| Homo sapiens | C-C chemokine receptor type 4 | IC50 | nan | None | None |
| Homo sapiens | C-C chemokine receptor type 4 | Ki | nan | None | None |
| Homo sapiens | C-C chemokine receptor type 5 | IC50 | nan | None | None |
| Homo sapiens | C-C chemokine receptor type 5 | Ki | nan | None | None |
| Homo sapiens | CCRF-CEM | GI50 | 12.25 | nM | None |
| Homo sapiens | Cholecystokinin A receptor | IC50 | nan | None | None |
| Homo sapiens | Cholecystokinin A receptor | Ki | nan | None | None |
| Homo sapiens | c-Jun N-terminal kinase, JNK | Activity | nan | None | 10.1074/jbc.m705540200 |
| Homo sapiens | COLO 205 | GI50 | 12.05 | nM | None |
| Homo sapiens | Cyclooxygenase-1 | IC50 | nan | None | None |
| Homo sapiens | Cyclooxygenase-1 | Ki | nan | None | None |
| Homo sapiens | Cyclooxygenase-2 | IC50 | nan | None | None |
| Homo sapiens | Cyclooxygenase-2 | Ki | nan | None | None |
| Homo sapiens | Cysteinyl leukotriene receptor 1 | IC50 | nan | None | None |
| Homo sapiens | Cysteinyl leukotriene receptor 1 | Ki | nan | None | None |
| Homo sapiens | Cytochrome P450 1A2 | IC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 1A2 | Ki | nan | None | None |
| Homo sapiens | Cytochrome P450 2A6 | IC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2A6 | Ki | nan | None | None |
| Homo sapiens | Cytochrome P450 2C19 | IC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2C19 | Ki | nan | None | None |
| Homo sapiens | Cytochrome P450 2C9 | IC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2C9 | Ki | nan | None | None |
| Homo sapiens | Cytochrome P450 2D6 | IC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2D6 | Ki | nan | None | None |
| Homo sapiens | Cytochrome P450 2E1 | IC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2E1 | Ki | nan | None | None |
| Homo sapiens | Cytochrome P450 3A4 | IC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 3A4 | Ki | nan | None | None |
| Homo sapiens | Delta opioid receptor | IC50 | nan | None | None |
| Homo sapiens | Delta opioid receptor | Ki | nan | None | None |
| Homo sapiens | Dopamine D1 receptor | IC50 | nan | None | None |
| Homo sapiens | Dopamine D1 receptor | Ki | nan | None | None |
| Homo sapiens | Dopamine D2 receptor | IC50 | nan | None | None |
| Homo sapiens | Dopamine D2 receptor | Ki | nan | None | None |
| Homo sapiens | Dopamine D3 receptor | IC50 | nan | None | None |
| Homo sapiens | Dopamine D3 receptor | Ki | nan | None | None |
| Homo sapiens | Dopamine D4 receptor | IC50 | nan | None | None |
| Homo sapiens | Dopamine D4 receptor | Ki | nan | None | None |
| Homo sapiens | Dopamine transporter | IC50 | nan | None | None |
| Homo sapiens | Dopamine transporter | Ki | nan | None | None |
| Homo sapiens | DU-145 | GI50 | 22.28 | nM | None |
| Homo sapiens | EKVX | GI50 | 36.14 | nM | None |
| Homo sapiens | Endothelin receptor ET-A | IC50 | nan | None | None |
| Homo sapiens | Endothelin receptor ET-A | Ki | nan | None | None |
| Homo sapiens | Epidermal growth factor receptor erbB1 | IC50 | nan | None | None |
| Homo sapiens | Epidermal growth factor receptor erbB1 | Ki | nan | None | None |
| Homo sapiens | Estrogen receptor alpha | IC50 | nan | None | None |
| Homo sapiens | Estrogen receptor alpha | Ki | nan | None | None |
| Homo sapiens | Estrogen receptor beta | IC50 | nan | None | None |
| Homo sapiens | Estrogen receptor beta | Ki | nan | None | None |
| Homo sapiens | Geminin | Potency | 517.4 | nM | None |
| Homo sapiens | Geminin | Potency | 631.0 | nM | None |
| Homo sapiens | Glucocorticoid receptor | IC50 | nan | None | None |
| Homo sapiens | Glucocorticoid receptor | Ki | nan | None | None |
| Homo sapiens | Glucose transporter | IC50 | 321.0 | nM | 10.6019/CHEMBL3433997 |
| Homo sapiens | Glucose transporter | Inhibition | 104.72 | % | 10.6019/CHEMBL3433997 |
| Homo sapiens | HCC 2998 | GI50 | 22.91 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 15.0 | nM | None |
| Homo sapiens | HCT-15 | GI50 | 32.58 | nM | None |
| Homo sapiens | HEK293 | IC50 | 20.0 | nM | 10.1016/j.bmcl.2005.06.004 |
| Homo sapiens | HeLa | Activity | 0.0 | % | 10.1021/np030524n |
| Homo sapiens | HeLa | Activity | nan | None | 10.1021/np030524n |
| Homo sapiens | HeLa | Inhibition | 98.5 | % | 10.1021/np030524n |
| Homo sapiens | HepG2 | IC50 relative | 300.0 | nM | 10.6019/EOS300108 |
| Homo sapiens | HepG2 | Inhibition | 39.0 | % | 10.1038/nature09107 |
| Homo sapiens | HERG | IC50 | nan | None | None |
| Homo sapiens | HERG | Ki | nan | None | None |
| Homo sapiens | Histamine H1 receptor | IC50 | nan | None | None |
| Homo sapiens | Histamine H1 receptor | Ki | nan | None | None |
| Homo sapiens | Histamine H2 receptor | IC50 | nan | None | None |
| Homo sapiens | Histamine H2 receptor | Ki | nan | None | None |
| Homo sapiens | Histone deacetylase 6 | Inhibition | -4.85 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | 6.86 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | HL-60 | GI50 | 10.38 | nM | None |
| Homo sapiens | HMG-CoA reductase | IC50 | nan | None | None |
| Homo sapiens | HMG-CoA reductase | Ki | nan | None | None |
| Homo sapiens | HOP-62 | GI50 | 20.99 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 16.0 | nM | None |
| Homo sapiens | Hs-578T | GI50 | 10.0 | nM | None |
| Homo sapiens | HT-29 | GI50 | 14.86 | nM | None |
| Homo sapiens | Huh-7 | CC50 | 2357.0 | nM | 10.1073/pnas.0802982105 |
| Homo sapiens | IGROV-1 | GI50 | 23.39 | nM | None |
| Homo sapiens | Interleukin-8 receptor A | IC50 | nan | None | None |
| Homo sapiens | Interleukin-8 receptor A | Ki | nan | None | None |
| Homo sapiens | Interleukin-8 receptor B | IC50 | nan | None | None |
| Homo sapiens | Interleukin-8 receptor B | Ki | nan | None | None |
| Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic | Potency | 46.1 | nM | None |
| Homo sapiens | Jurkat | IC50 | 160.0 | nM | None |
| Homo sapiens | K562 | GI50 | 12.39 | nM | None |
| Homo sapiens | Kappa opioid receptor | IC50 | nan | None | None |
| Homo sapiens | Kappa opioid receptor | Ki | nan | None | None |
| Homo sapiens | KM12 | GI50 | 22.39 | nM | None |
| Homo sapiens | Leukocyte common antigen | IC50 | nan | None | None |
| Homo sapiens | Leukocyte common antigen | Ki | nan | None | None |
| Homo sapiens | Leukocyte elastase | IC50 | nan | None | None |
| Homo sapiens | Leukocyte elastase | Ki | nan | None | None |
| Homo sapiens | LOX IMVI | GI50 | 13.09 | nM | None |
| Homo sapiens | M14 | GI50 | 13.55 | nM | None |
| Homo sapiens | Malme-3M | GI50 | 55.21 | nM | None |
| Homo sapiens | MAP kinase ERK1 | IC50 | nan | None | None |
| Homo sapiens | MAP kinase ERK1 | Ki | nan | None | None |
| Homo sapiens | MAP kinase ERK2 | IC50 | nan | None | None |
| Homo sapiens | MAP kinase ERK2 | Ki | nan | None | None |
| Homo sapiens | MAP kinase p38 | Activity | nan | None | 10.1021/jm3013344 |
| Homo sapiens | MAP kinase p38 alpha | IC50 | nan | None | None |
| Homo sapiens | MAP kinase p38 alpha | Ki | nan | None | None |
| Homo sapiens | Matrix metalloproteinase-1 | IC50 | nan | None | None |
| Homo sapiens | Matrix metalloproteinase-1 | Ki | nan | None | None |
| Homo sapiens | Matrix metalloproteinase 9 | IC50 | nan | None | None |
| Homo sapiens | Matrix metalloproteinase 9 | Ki | nan | None | None |
| Homo sapiens | MCF7 | GI50 | 19.32 | nM | None |
| Homo sapiens | MDA-MB-231 | GI50 | 15.92 | nM | None |
| Homo sapiens | MDA-MB-435 | GI50 | 25.88 | nM | None |
| Homo sapiens | MDA-N | GI50 | 31.33 | nM | None |
| Homo sapiens | Melanocortin receptor 3 | IC50 | nan | None | None |
| Homo sapiens | Melanocortin receptor 3 | Ki | nan | None | None |
| Homo sapiens | Melanocortin receptor 4 | IC50 | nan | None | None |
| Homo sapiens | Melanocortin receptor 4 | Ki | nan | None | None |
| Homo sapiens | Melanocortin receptor 5 | IC50 | nan | None | None |
| Homo sapiens | Melanocortin receptor 5 | Ki | nan | None | None |
| Homo sapiens | MOLT-4 | GI50 | 13.0 | nM | None |
| Homo sapiens | Monoamine oxidase A | IC50 | nan | None | None |
| Homo sapiens | Monoamine oxidase A | Ki | nan | None | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 73.1 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 103.2 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 145.8 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 223.9 | nM | None |
| Homo sapiens | Mu opioid receptor | IC50 | nan | None | None |
| Homo sapiens | Mu opioid receptor | Ki | nan | None | None |
| Homo sapiens | Muscarinic acetylcholine receptor M1 | IC50 | nan | None | None |
| Homo sapiens | Muscarinic acetylcholine receptor M1 | Ki | nan | None | None |
| Homo sapiens | Muscarinic acetylcholine receptor M2 | IC50 | nan | None | None |
| Homo sapiens | Muscarinic acetylcholine receptor M2 | Ki | nan | None | None |
| Homo sapiens | Muscarinic acetylcholine receptor M3 | IC50 | nan | None | None |
| Homo sapiens | Muscarinic acetylcholine receptor M3 | Ki | nan | None | None |
| Homo sapiens | Muscarinic acetylcholine receptor M4 | IC50 | nan | None | None |
| Homo sapiens | Muscarinic acetylcholine receptor M4 | Ki | nan | None | None |
| Homo sapiens | Muscarinic acetylcholine receptor M5 | IC50 | nan | None | None |
| Homo sapiens | Muscarinic acetylcholine receptor M5 | Ki | nan | None | None |
| Homo sapiens | NCI/ADR-RES | GI50 | 28.25 | nM | None |
| Homo sapiens | NCI-H226 | GI50 | 23.44 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 31.55 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 20.75 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 16.94 | nM | None |
| Homo sapiens | NCI-H522 | GI50 | 19.77 | nM | None |
| Homo sapiens | Neurokinin 1 receptor | IC50 | nan | None | None |
| Homo sapiens | Neurokinin 1 receptor | Ki | nan | None | None |
| Homo sapiens | Neurokinin 2 receptor | IC50 | nan | None | None |
| Homo sapiens | Neurokinin 2 receptor | Ki | nan | None | None |
| Homo sapiens | Neuropeptide Y receptor type 1 | IC50 | nan | None | None |
| Homo sapiens | Neuropeptide Y receptor type 1 | Ki | nan | None | None |
| Homo sapiens | Neuropeptide Y receptor type 2 | IC50 | nan | None | None |
| Homo sapiens | Neuropeptide Y receptor type 2 | Ki | nan | None | None |
| Homo sapiens | Norepinephrine transporter | IC50 | nan | None | None |
| Homo sapiens | Norepinephrine transporter | Ki | nan | None | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 115.8 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 7307.8 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 26.3 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 19.41 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 47.75 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 16.75 | nM | None |
| Homo sapiens | Paired box protein Pax-8 | AC50 | 260.0 | nM | None |
| Homo sapiens | PC-3 | GI50 | 19.1 | nM | None |
| Homo sapiens | Phosphodiesterase 5A | IC50 | nan | None | None |
| Homo sapiens | Phosphodiesterase 5A | Ki | nan | None | None |
| Homo sapiens | Platelet activating factor receptor | IC50 | nan | None | None |
| Homo sapiens | Platelet activating factor receptor | Ki | nan | None | None |
| Homo sapiens | Protein kinase C alpha | IC50 | nan | None | None |
| Homo sapiens | Protein kinase C alpha | Ki | nan | None | None |
| Homo sapiens | Receptor protein-tyrosine kinase erbB-2 | IC50 | nan | None | None |
| Homo sapiens | Receptor protein-tyrosine kinase erbB-2 | Ki | nan | None | None |
| Homo sapiens | RPMI-8226 | GI50 | 24.27 | nM | None |
| Homo sapiens | RXF 393 | GI50 | 48.31 | nM | None |
| Homo sapiens | Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform | IC50 | nan | None | None |
| Homo sapiens | Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform | Ki | nan | None | None |
| Homo sapiens | Serotonin 2a (5-HT2a) receptor | IC50 | nan | None | None |
| Homo sapiens | Serotonin 2a (5-HT2a) receptor | Ki | nan | None | None |
| Homo sapiens | Serotonin 2b (5-HT2b) receptor | IC50 | nan | None | None |
| Homo sapiens | Serotonin 2b (5-HT2b) receptor | Ki | nan | None | None |
| Homo sapiens | Serotonin 2c (5-HT2c) receptor | IC50 | nan | None | None |
| Homo sapiens | Serotonin 2c (5-HT2c) receptor | Ki | nan | None | None |
| Homo sapiens | Serotonin 6 (5-HT6) receptor | IC50 | nan | None | None |
| Homo sapiens | Serotonin 6 (5-HT6) receptor | Ki | nan | None | None |
| Homo sapiens | Serotonin transporter | IC50 | nan | None | None |
| Homo sapiens | Serotonin transporter | Ki | nan | None | None |
| Homo sapiens | SF-268 | GI50 | 36.06 | nM | None |
| Homo sapiens | SF-295 | GI50 | 18.45 | nM | None |
| Homo sapiens | SF-539 | GI50 | 21.33 | nM | None |
| Homo sapiens | Sigma opioid receptor | IC50 | nan | None | None |
| Homo sapiens | Sigma opioid receptor | Ki | nan | None | None |
| Homo sapiens | SK-MEL-2 | GI50 | 28.71 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 23.93 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 13.27 | nM | None |
| Homo sapiens | SK-OV-3 | GI50 | 39.81 | nM | None |
| Homo sapiens | SN12C | GI50 | 16.63 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 17.74 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 10.64 | nM | None |
| Homo sapiens | Solute carrier organic anion transporter family member 1B1 | Inhibition | 81.33 | % | 10.1124/mol.112.084152 |
| Homo sapiens | Solute carrier organic anion transporter family member 1B3 | Inhibition | 81.11 | % | 10.1124/mol.112.084152 |
| Homo sapiens | SR | GI50 | 14.26 | nM | None |
| Homo sapiens | Survival motor neuron protein | Potency | 12.6 | nM | None |
| Homo sapiens | SW-620 | GI50 | 16.44 | nM | None |
| Homo sapiens | T47D | GI50 | 30.34 | nM | None |
| Homo sapiens | TAR DNA-binding protein 43 | Potency | 35481.3 | nM | None |
| Homo sapiens | Thromboxane-A synthase | IC50 | nan | None | None |
| Homo sapiens | Thromboxane-A synthase | Ki | nan | None | None |
| Homo sapiens | TK-10 | GI50 | 47.86 | nM | None |
| Homo sapiens | Tyrosine-protein kinase FYN | IC50 | nan | None | None |
| Homo sapiens | Tyrosine-protein kinase FYN | Ki | nan | None | None |
| Homo sapiens | Tyrosine-protein kinase LCK | IC50 | nan | None | None |
| Homo sapiens | Tyrosine-protein kinase LCK | Ki | nan | None | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 145.8 | nM | None |
| Homo sapiens | U-251 | GI50 | 30.9 | nM | None |
| Homo sapiens | UACC-257 | GI50 | 35.89 | nM | None |
| Homo sapiens | UACC-62 | GI50 | 36.22 | nM | None |
| Homo sapiens | UO-31 | GI50 | 40.36 | nM | None |
| Homo sapiens | Vascular endothelial growth factor receptor 1 | IC50 | nan | None | None |
| Homo sapiens | Vascular endothelial growth factor receptor 1 | Ki | nan | None | None |
| Homo sapiens | Vasoactive intestinal polypeptide receptor 1 | IC50 | nan | None | None |
| Homo sapiens | Vasoactive intestinal polypeptide receptor 1 | Ki | nan | None | None |
| Homo sapiens | Vasopressin V1a receptor | IC50 | nan | None | None |
| Homo sapiens | Vasopressin V1a receptor | Ki | nan | None | None |
| Leishmania mexicana | Glucose transporter | IC50 | 225.0 | nM | 10.6019/CHEMBL3433997 |
| Leishmania mexicana | Glucose transporter | Inhibition | 92.06 | % | 10.6019/CHEMBL3433997 |
| Mus musculus | Heat shock factor protein 1 | AC50 | 171.0 | nM | None |
| Mus musculus | Heat shock factor protein 1 | AC50 | 361.0 | nM | None |
| Mus musculus | Heat shock factor protein 1 | AC50 | 551.0 | nM | None |
| Mus musculus | Heat shock factor protein 1 | EC50 | 243.0 | nM | None |
| Mus musculus | Nitric oxide synthase, inducible | IC50 | nan | None | None |
| Mus musculus | Nitric oxide synthase, inducible | Ki | nan | None | None |
| Mus musculus | Transient receptor potential cation channel subfamily M member 7 | Inhibition | nan | % | None |
| Oryctolagus cuniculus | Angiotensin-converting enzyme | IC50 | nan | None | None |
| Oryctolagus cuniculus | Angiotensin-converting enzyme | Ki | nan | None | None |
| Oryctolagus cuniculus | Arachidonate 15-lipoxygenase | IC50 | nan | None | None |
| Oryctolagus cuniculus | Arachidonate 15-lipoxygenase | Ki | nan | None | None |
| Plasmodium falciparum | Hexose transporter 1 | IC50 | 326.0 | nM | 10.6019/CHEMBL3433997 |
| Plasmodium falciparum | Hexose transporter 1 | Inhibition | 102.9 | % | 10.6019/CHEMBL3433997 |
| Plasmodium falciparum | Plasmodium falciparum | EC50 | 9.75 | nM | 10.1073/pnas.0802982105 |
| Plasmodium falciparum | Plasmodium falciparum | EC50 | 10.32 | nM | 10.1073/pnas.0802982105 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 5.8 | nM | 10.1126/science.1193225 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 6.4 | nM | 10.1126/science.1193225 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 9.1 | nM | 10.1126/science.1193225 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 9.2 | nM | 10.1126/science.1193225 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 25.0 | nM | 10.1126/science.1193225 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 4600.0 | nM | 10.1016/j.bmc.2009.02.050 |
| Plasmodium falciparum | Plasmodium falciparum | Inhibition | 6.0 | % | 10.1038/nature09107 |
| Plasmodium falciparum | Plasmodium falciparum | Inhibition | 98.0 | % | 10.1038/nature09107 |
| Plasmodium falciparum | Plasmodium falciparum | Inhibition | 100.0 | % | 10.1038/nature09107 |
| Plasmodium falciparum | Plasmodium falciparum | Inhibition | nan | % | 10.1126/science.1193225 |
| Plasmodium falciparum | Plasmodium falciparum | XC50 | 137.52 | nM | 10.1038/nature09107 |
| Pseudomonas aeruginosa | Beta Lactamase | IC50 | 49751.0 | nM | None |
| Rattus norvegicus | Aldose reductase | IC50 | nan | None | None |
| Rattus norvegicus | Aldose reductase | Ki | nan | None | None |
| Rattus norvegicus | Alpha-1a adrenergic receptor | IC50 | nan | None | None |
| Rattus norvegicus | Alpha-1a adrenergic receptor | Ki | nan | None | None |
| Rattus norvegicus | Alpha-1b adrenergic receptor | IC50 | nan | None | None |
| Rattus norvegicus | Alpha-1b adrenergic receptor | Ki | nan | None | None |
| Rattus norvegicus | Androgen Receptor | IC50 | nan | None | None |
| Rattus norvegicus | Androgen Receptor | Ki | nan | None | None |
| Rattus norvegicus | Glycine receptor | IC50 | nan | None | None |
| Rattus norvegicus | Glycine receptor | Ki | nan | None | None |
| Rattus norvegicus | Insulin receptor | IC50 | nan | None | None |
| Rattus norvegicus | Insulin receptor | Ki | nan | None | None |
| Rattus norvegicus | Nitric-oxide synthase, brain | IC50 | nan | None | None |
| Rattus norvegicus | Nitric-oxide synthase, brain | Ki | nan | None | None |
| Rattus norvegicus | Serotonin 1a (5-HT1a) receptor | IC50 | nan | None | None |
| Rattus norvegicus | Serotonin 1a (5-HT1a) receptor | Ki | nan | None | None |
| Rattus norvegicus | Serotonin 1b (5-HT1b) receptor | IC50 | nan | None | None |
| Rattus norvegicus | Serotonin 1b (5-HT1b) receptor | Ki | nan | None | None |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 39810.7 | nM | None |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | Inhibition | nan | % | 10.1038/nchembio883 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | Inhibitory zone | 10.0 | mM | 10.1021/jm00358a003 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | Inhibitory zone | 13.0 | mM | 10.1021/jm00358a003 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | IZ | 7.0 | mm | 10.1016/j.ejmech.2010.07.050 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | IZ | 9.0 | mm | 10.1016/j.ejmech.2010.07.050 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | MIC | 0.25 | ug.mL-1 | 10.1021/jm00358a003 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | MIC | 0.5 | ug.mL-1 | 10.1021/jm00358a003 |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | 3.211 | % | 10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | 5.74 | % | 10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 90.0 | nM | 10.6019/CHEMBL4495565 |
| 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 | IC50 | nan | None | 10.1101/2020.03.25.008482 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | -0.29 | % | 10.6019/CHEMBL4495565 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 0.0 | % | 10.6019/CHEMBL4495565 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 92.8 | % | 10.21203/rs.3.rs-23951/v1 |
| Staphylococcus aureus | Staphylococcus aureus | Inhibition | nan | % | 10.1016/j.bmcl.2005.06.004 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 32.0 | ug.mL-1 | 10.1016/j.bmcl.2005.06.004 |
| Streptococcus pyogenes | Streptococcus pyogenes | Inhibitory zone | 0.0 | mM | 10.1021/jm00358a003 |
| Trichomonas vaginalis | Trichomonas vaginalis | Concentration | 0.25 | ug ml-1 | 10.1021/jm00358a003 |
| Trichomonas vaginalis | Trichomonas vaginalis | Concentration | 0.5 | ug ml-1 | 10.1021/jm00358a003 |
| Trichomonas vaginalis | Trichomonas vaginalis | Concentration | 1.0 | ug ml-1 | 10.1021/jm00358a003 |
| Trichomonas vaginalis | Trichomonas vaginalis | Concentration | 2.0 | ug ml-1 | 10.1021/jm00358a003 |
| Trichomonas vaginalis | Trichomonas vaginalis | Concentration | nan | None | 10.1021/jm00358a003 |
| Trichophyton benhamiae | Trichophyton benhamiae | Inhibitory zone | 10.0 | mM | 10.1021/jm00358a003 |
| Trichophyton benhamiae | Trichophyton benhamiae | MIC | 2.0 | ug.mL-1 | 10.1021/jm00358a003 |
| Trichophyton benhamiae | Trichophyton benhamiae | MIC | 4.0 | ug.mL-1 | 10.1021/jm00358a003 |
| Tritrichomonas suis | Tritrichomonas suis | Concentration | 0.25 | ug ml-1 | 10.1021/jm00358a003 |
| Tritrichomonas suis | Tritrichomonas suis | Concentration | 0.5 | ug ml-1 | 10.1021/jm00358a003 |
| Tritrichomonas suis | Tritrichomonas suis | Concentration | 1.0 | ug ml-1 | 10.1021/jm00358a003 |
| Tritrichomonas suis | Tritrichomonas suis | Concentration | 2.0 | ug ml-1 | 10.1021/jm00358a003 |
| Tritrichomonas suis | Tritrichomonas suis | Concentration | 4.0 | ug ml-1 | 10.1021/jm00358a003 |
| Tritrichomonas suis | Tritrichomonas suis | Concentration | 8.0 | ug ml-1 | 10.1021/jm00358a003 |
| Tritrichomonas suis | Tritrichomonas suis | Concentration | nan | None | 10.1021/jm00358a003 |
| None | ADMET | Selectivity index | 1.11 | None | 10.6019/CHEMBL4495565 |
| None | NON-PROTEIN TARGET | Activity | nan | None | 10.1584/jpestics.30.17 |
| None | Unchecked | AC50 | 882.0 | nM | None |
| None | Unchecked | AC50 | 3440.0 | nM | None |
| None | Unchecked | AC50 | 70000.0 | nM | None |
| None | Unchecked | Activity | 0.01 | None | 10.1021/np030524n |
| None | Unchecked | Activity | nan | None | 10.1016/j.ejmech.2010.07.050 |
| None | Unchecked | Activity | nan | None | 10.1584/jpestics.30.403 |
| None | Unchecked | EC50 | 91.0 | nM | None |
| None | Unchecked | EC50 | 100.0 | nM | None |
| None | Unchecked | EC50 | 104.0 | nM | None |
| None | Unchecked | EC50 | 120.0 | nM | None |
| None | Unchecked | EC50 | 121.0 | nM | None |
| None | Unchecked | EC50 | 1035.0 | nM | None |
| None | Unchecked | EC50 | 120000.0 | nM | None |
| None | Unchecked | IC50 | 160.0 | nM | None |
| None | Unchecked | IC50 | 49751.0 | nM | None |
| None | Unchecked | IC50 | 80000.0 | nM | None |
| None | Unchecked | IC50 | nan | None | None |
| None | Unchecked | IFI | 8.51 | % | 10.1038/nature09107 |
| None | Unchecked | IFI | 33.6 | % | 10.1073/pnas.0802982105 |
| None | Unchecked | Inhibition | nan | % | 10.1021/acs.jnatprod.6b00671 |
| None | Unchecked | Inhibition | nan | % | 10.1021/jm401799j |
| None | Unchecked | Ki | nan | None | None |
| None | Unchecked | Potency | 0.03548 | nM | None |
| None | Unchecked | Potency | 58.0 | nM | None |
| None | Unchecked | Potency | 62.8 | nM | None |
| None | Unchecked | Potency | 163.6 | nM | None |
| None | Unchecked | Potency | 446.7 | nM | None |
| None | Unchecked | Potency | 651.3 | nM | None |
| None | Unchecked | Potency | 891.3 | nM | None |
| None | Unchecked | Potency | 1000.0 | nM | None |
| None | Unchecked | Potency | 7045.6 | nM | None |
| None | Unchecked | Potency | 7079.5 | nM | None |
| None | Unchecked | Potency | 25118.9 | nM | None |