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Acepromazine

AlkaPlorer ID: AK148565

Synonym: None

IUPAC Name: 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone

Structure

SMILES: CC(=O)C1=CC=C2SC3=CC=CC=C3N(CCCN(C)C)C2=C1

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InChI: InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3

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InChIKey: NOSIYYJFMPDDSA-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 326.46500000000003

TPSA？: 23.550000000000004

MolLogP？: 4.443600000000004

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus anthracis Anthrax lethal factor Potency 2511.9 nM None
Chlorocebus sabaeus Vero C1008 CC50 22400.0 nM 10.6019/CHEMBL4651402
Chlorocebus sabaeus Vero C1008 pCC50 4.65 None 10.6019/CHEMBL4651402
Felis catus Felis catus Activity A 0.03 uM kg-1 10.1021/jm00180a014
Felis catus Felis catus Activity B 1.0 uM kg-1 10.1021/jm00180a014
Homo sapiens Acetylcholinesterase AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 3.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 418.2 nM 10.1038/s41467-023-40064-9
Homo sapiens Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Androgen Receptor Activity nan None 10.1073/pnas.0609752104
Homo sapiens Bile salt export pump IC50 111600.0 nM 10.1124/dmd.112.047068
Homo sapiens Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cytochrome P450 1A2 AC50 1584.89 nM None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 AC50 2511.89 nM None
Homo sapiens Cytochrome P450 2D6 Potency 2511.9 nM None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens Dopamine D1 receptor AC50 25.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 66.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 1400.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D2 receptor AC50 78.5 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor AC50 8.7 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor AC50 13.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 19516.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Geminin Potency 8052.4 nM None
Homo sapiens HERG AC50 2500.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone deacetylase 6 Inhibition 16.83 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 43.71 % 10.6019/CHEMBL4808148
Homo sapiens MES-SA Activity 0.8 None 10.1021/jm0491851
Homo sapiens Monoamine oxidase A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 2419.2 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 151.4 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 203.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter AC50 161.3 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Prelamin-A/C Potency 5623.4 nM None
Homo sapiens Prion protein EC50 5000.0 nM 10.1021/jm034093h
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 248.2 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter AC50 144.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Thrombin AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 13678.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thyroid stimulating hormone receptor Potency 7943.3 nM None
Homo sapiens Vascular endothelial growth factor receptor 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Whole blood Retention_time 5.67 min 10.1007/s00044-012-9977-1
Mus musculus Mus musculus ED50 6.42 uM 10.1021/jm960814j
Mus musculus Mus musculus ED50 nan None 10.1021/jm960814j
Mus musculus Mus musculus Locomotor activity 11.0 uM kg-1 10.1021/jm00180a014
Plasmodium falciparum Plasmodium falciparum Potency 8087.5 nM None
Plasmodium falciparum Plasmodium falciparum Potency 9074.3 nM None
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.08942 None 10.1101/2020.04.21.054387
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 100000.0 nM 10.6019/CHEMBL4651402
Trypanosoma cruzi Trypanothione reductase IC50 502000.0 nM 10.1021/jm960814j
None ADMET LC50 10000.0 nM 10.1016/j.bmc.2013.09.022
None NON-PROTEIN TARGET Hepatotoxicity (acute) 0.0 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (animal toxicity known) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (benign tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (granulomatous hepatitis) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (mechanism) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 0.0 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (time to onset) nan None 10.1016/s0399-8320(04)95062-2
None No relevant target Kd 100.0 nM 10.1021/jm030650o
None Unchecked EC50 6930.0 nM 10.1016/j.bmc.2013.09.022
None Unchecked Hepatotoxicity (acute) 1.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (association with vascular disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (choleostasis) 1.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (chronic liver disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cirrhosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (comment) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cytolytic) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (malignant tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (severe hepatitis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (steatosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (successful reintroduction) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked Ratio 1.44 None 10.1016/j.bmc.2013.09.022
None Unchecked Ratio 393.0 None 10.1021/jm00180a014

Metabolism Information