propranolol
AlkaPlorer ID: AK037005
Synonym: 'Propanalol', 'propranololo', 'beta-Propranolol', '1-((1-Methylethyl)amino)-3-(1-naphthalenyloxy)-2-propanol', 'Propanolol', '1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol', 'Propranolol'
IUPAC Name: (2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
Structure
SMILES: CC(C)NC[C@@H](O)COC1=CC=CC2=CC=CC=C12
InChI: InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1
InChIKey: AQHHHDLHHXJYJD-CQSZACIVSA-N
Reference
Genome-scale metabolic modeling of responses to polymyxins in <i>Pseudomonas aeruginosa</i>
PubChem CID: 21138
CAS: 5051-22-9
LOTUS: LTS0015919
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudomonas aeruginosa | Pseudomonas | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 259.34900000000005
TPSA？: 41.49
MolLogP？: 2.577500000000001
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus anthracis | Anthrax lethal factor | Potency | 31622.8 | nM | None |
| Bos taurus | Progesterone receptor | IC50 | nan | None | None |
| Bos taurus | Progesterone receptor | Ki | nan | None | None |
| Cavia porcellus | Aorta | Inhibition | 36.0 | % | 10.1021/jm800151n |
| Cavia porcellus | Ileum | IC50 | 27100.0 | nM | 10.1021/jm800151n |
| Cavia porcellus | Ileum | Inhibition | 74.0 | % | 10.1021/jm800151n |
| 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 |
| Homo sapiens | Acetylcholinesterase | IC50 | nan | None | None |
| Homo sapiens | Acetylcholinesterase | Ki | nan | None | 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 | Aldehyde dehydrogenase 1A1 | Potency | 15.8 | nM | 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 | 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 | Arachidonate 15-lipoxygenase, type II | Potency | 10000.0 | nM | None |
| Homo sapiens | Arachidonate 15-lipoxygenase, type II | Potency | 15848.9 | nM | None |
| Homo sapiens | Ataxin-2 | Potency | 8912.5 | nM | None |
| Homo sapiens | Ataxin-2 | Potency | 10000.0 | nM | None |
| Homo sapiens | Ataxin-2 | Potency | 14125.4 | nM | None |
| Homo sapiens | Beta-1 adrenergic receptor | IC50 | 370.0 | nM | None |
| Homo sapiens | Beta-1 adrenergic receptor | Ki | 214.0 | nM | None |
| Homo sapiens | Beta-2 adrenergic receptor | -Delta G | 9.12 | None | 10.1021/jm00401a004 |
| Homo sapiens | Beta-2 adrenergic receptor | IC50 | 76.0 | nM | None |
| Homo sapiens | Beta-2 adrenergic receptor | Ki | 52.0 | nM | None |
| Homo sapiens | Beta-3 adrenergic receptor | IC50 | nan | None | None |
| Homo sapiens | Beta-3 adrenergic receptor | Ki | nan | None | None |
| Homo sapiens | Bradykinin B2 receptor | IC50 | nan | None | None |
| Homo sapiens | Bradykinin B2 receptor | Ki | nan | None | 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 | Cellular tumor antigen p53 | Potency | 25118.9 | nM | None |
| Homo sapiens | Cholecystokinin A receptor | IC50 | nan | None | None |
| Homo sapiens | Cholecystokinin A receptor | Ki | nan | None | 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 | AC50 | 158.49 | nM | None |
| Homo sapiens | Cytochrome P450 1A2 | AC50 | 199.53 | nM | None |
| Homo sapiens | Cytochrome P450 1A2 | AC50 | 251.19 | nM | None |
| Homo sapiens | Cytochrome P450 1A2 | AC50 | 630.96 | nM | None |
| Homo sapiens | Cytochrome P450 1A2 | AC50 | 1258.93 | nM | None |
| Homo sapiens | Cytochrome P450 1A2 | AC50 | 1584.89 | nM | 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 | AC50 | 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 | AC50 | 12589.25 | nM | None |
| Homo sapiens | Cytochrome P450 2C9 | AC50 | 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 2C9 | Potency | 12589.3 | nM | None |
| Homo sapiens | Cytochrome P450 2D6 | AC50 | 3981.07 | nM | None |
| Homo sapiens | Cytochrome P450 2D6 | AC50 | 5011.87 | nM | None |
| Homo sapiens | Cytochrome P450 2D6 | AC50 | 7943.28 | nM | None |
| Homo sapiens | Cytochrome P450 2D6 | AC50 | 12589.25 | nM | None |
| Homo sapiens | Cytochrome P450 2D6 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2D6 | Activity | nan | None | None |
| Homo sapiens | Cytochrome P450 2D6 | IC50 | 1900.0 | nM | 10.1021/jm0209578 |
| Homo sapiens | Cytochrome P450 2D6 | IC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2D6 | Ki | nan | None | None |
| Homo sapiens | Cytochrome P450 2D6 | Potency | 3981.1 | nM | None |
| Homo sapiens | Cytochrome P450 2D6 | Potency | 5011.9 | nM | None |
| Homo sapiens | Cytochrome P450 2D6 | Potency | 7943.3 | nM | None |
| Homo sapiens | Cytochrome P450 2D6 | Potency | 12589.3 | nM | None |
| Homo sapiens | Cytochrome P450 2E1 | IC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2E1 | Ki | nan | None | None |
| Homo sapiens | Cytochrome P450 3A4 | AC50 | 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 | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein | Potency | 39810.7 | 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 | Glucocorticoid receptor | IC50 | nan | None | None |
| Homo sapiens | Glucocorticoid receptor | Ki | nan | None | None |
| 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 | -62.1 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | -19.43 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | -4.26 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | 30.97 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | HMG-CoA reductase | IC50 | nan | None | None |
| Homo sapiens | HMG-CoA reductase | Ki | nan | None | 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 | Kappa opioid receptor | IC50 | nan | None | None |
| Homo sapiens | Kappa opioid receptor | Ki | nan | None | 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 | 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 ERK2 | Potency | 31622.8 | nM | None |
| Homo sapiens | MAP kinase ERK2 | Potency | 39810.7 | nM | None |
| 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 | 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 | Monoamine oxidase A | IC50 | nan | None | None |
| Homo sapiens | Monoamine oxidase A | Ki | nan | None | 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 | 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 NF-kappa-B p105 subunit | Potency | 631.0 | nM | None |
| Homo sapiens | Nuclear receptor subfamily 2 group E member 1 | EC50 | 40000.0 | nM | 10.1021/acs.jmedchem.1c00733 |
| Homo sapiens | Nuclear receptor subfamily 2 group E member 1 | FC | 0.4 | None | 10.1021/acs.jmedchem.1c00733 |
| Homo sapiens | P-glycoprotein 1 | IC50 | 583000.0 | nM | 10.1021/jm020941h |
| 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 | Prelamin-A/C | Potency | 35481.3 | nM | 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 | 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 | 438.0 | nM | None |
| Homo sapiens | Serotonin 2b (5-HT2b) receptor | Ki | 279.0 | nM | 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 | 612.0 | nM | None |
| Homo sapiens | Serotonin transporter | Ki | 325.0 | nM | None |
| Homo sapiens | Sigma opioid receptor | IC50 | 3974.0 | nM | None |
| Homo sapiens | Sigma opioid receptor | Ki | 1670.0 | nM | None |
| Homo sapiens | Sodium channel alpha subunits; brain (Types I, II, III) | IC50 | 10000.0 | nM | 10.1021/jm00381a019 |
| Homo sapiens | Sodium channel alpha subunits; brain (Types I, II, III) | Inhibition | 50.0 | % | 10.1021/jm00381a019 |
| Homo sapiens | Thrombopoietin | Potency | 316.2 | nM | None |
| Homo sapiens | Thromboxane-A synthase | IC50 | nan | None | None |
| Homo sapiens | Thromboxane-A synthase | Ki | nan | None | None |
| Homo sapiens | Thyroid stimulating hormone receptor | Potency | 5011.9 | 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 | 16788.9 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 18837.5 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 29855.4 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 33498.3 | nM | None |
| Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 | Potency | 35481.3 | nM | None |
| Homo sapiens | UDP-glucuronosyltransferase 1-10 | Activity | 0.0 | pm/min/mg | 10.1146/annurev.pharmtox.40.1.581 |
| Homo sapiens | UDP-glucuronosyltransferase 1-8 | Activity | 0.0 | pm/min/mg | 10.1146/annurev.pharmtox.40.1.581 |
| 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 |
| Meleagris gallopavo | Erythrocyte beta receptor | Delta G | -11.7 | None | 10.1021/jm00152a017 |
| Mus musculus | Mus musculus | ED50 | 16.0 | mg.kg-1 | 10.1016/j.bmcl.2020.127325 |
| Mus musculus | Nitric oxide synthase, inducible | IC50 | nan | None | None |
| Mus musculus | Nitric oxide synthase, inducible | Ki | nan | None | 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 | Plasmodium falciparum | Potency | 15101.4 | nM | None |
| Rattus norvegicus | Adrenergic receptor beta | Ki | nan | nM | 10.1021/jm00124a021 |
| 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 | Cytochrome P450 2D1 | IC50 | 182000.0 | nM | 10.1021/jm0209578 |
| Rattus norvegicus | Cytochrome P450 2D18 | IC50 | 117000.0 | nM | 10.1021/jm0209578 |
| Rattus norvegicus | Cytochrome P450 2D2 | IC50 | 420.0 | nM | 10.1021/jm0209578 |
| Rattus norvegicus | Cytochrome P450 2D3 | IC50 | 155000.0 | nM | 10.1021/jm0209578 |
| 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 | Muscarinic acetylcholine receptor M1 | Potency | 281.8 | nM | None |
| Rattus norvegicus | Muscarinic acetylcholine receptor M1 | Potency | 446.7 | nM | None |
| Rattus norvegicus | Nitric-oxide synthase, brain | IC50 | nan | None | None |
| Rattus norvegicus | Nitric-oxide synthase, brain | Ki | nan | None | None |
| Rattus norvegicus | Peripheral myelin protein 22 | Potency | 40533.4 | nM | None |
| Rattus norvegicus | Serotonin 1a (5-HT1a) receptor | IC50 | 169.82 | nM | 10.1021/jm00401a007 |
| Rattus norvegicus | Serotonin 1a (5-HT1a) receptor | IC50 | 4880.0 | nM | None |
| Rattus norvegicus | Serotonin 1a (5-HT1a) receptor | Ki | 1700.0 | nM | 10.1021/jm00124a021 |
| Rattus norvegicus | Serotonin 1a (5-HT1a) receptor | Ki | 2789.0 | nM | None |
| Rattus norvegicus | Serotonin 1b (5-HT1b) receptor | IC50 | 489.78 | nM | 10.1021/jm00401a007 |
| Rattus norvegicus | Serotonin 1b (5-HT1b) receptor | IC50 | nan | None | None |
| Rattus norvegicus | Serotonin 1b (5-HT1b) receptor | Ki | nan | nM | 10.1021/jm00124a021 |
| Rattus norvegicus | Serotonin 1b (5-HT1b) receptor | Ki | nan | None | None |
| Rattus norvegicus | Serotonin 2 (5-HT2) receptor | IC50 | 7943.28 | nM | 10.1021/jm00401a007 |
| Rattus norvegicus | Voltage-gated L-type calcium channel | Ki | 14500.0 | nM | 10.1021/jm800151n |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Hit score | 0.4686 | 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 |
| None | ADMET | PPB | 82.05 | % | 10.6019/CHEMBL3301361 |
| None | ADMET | PPB | 82.39 | % | 10.6019/CHEMBL3301361 |
| None | NON-PROTEIN TARGET | AC50 | 26.0 | % | 10.1021/jm800151n |
| None | NON-PROTEIN TARGET | Activity | 92.0 | % | 10.1021/jm800151n |
| None | NON-PROTEIN TARGET | EC50 | 1540.0 | nM | 10.1021/jm800151n |
| None | No relevant target | LogD7.4 | 1.13 | None | 10.6019/CHEMBL3301361 |
| None | Unchecked | Ac50 | 2.239 | uM | None |
| None | Unchecked | Ac50 | 15.85 | uM | None |
| None | Unchecked | Ac50 | 19.95 | uM | None |
| None | Unchecked | AC50 | 2238.7 | nM | None |
| None | Unchecked | AC50 | 15848.9 | nM | None |
| None | Unchecked | AC50 | 19952.6 | nM | None |
| None | Unchecked | IC50 | 3448.0 | nM | None |
| None | Unchecked | IC50 | nan | None | None |
| None | Unchecked | Ki | 2122.0 | nM | None |
| None | Unchecked | Ki | nan | None | None |
| None | Unchecked | Potency | 7943.3 | nM | None |
| None | Unchecked | Potency | 8912.5 | nM | None |
| None | Unchecked | Potency | 10000.0 | nM | None |
| None | Unchecked | Potency | 14575.0 | nM | None |
| None | Unchecked | Potency | 15848.9 | nM | None |
| None | Unchecked | Potency | 29081.0 | nM | None |
| None | Unchecked | Potency | 31622.8 | nM | None |
| None | Unchecked | Potency | 35481.3 | nM | None |