TACRINE

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Synonyms
Status
Molecule Category Free-form
ATC N06DA01
UNII 4VX7YNB537
EPA CompTox DTXSID1037272

Structure

InChI Key YLJREFDVOIBQDA-UHFFFAOYSA-N
Smiles Nc1c2c(nc3ccccc13)CCCC2
InChI
InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H14N2
Molecular Weight 198.27
AlogP 2.7
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 38.91
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 15.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- - - - 14-75
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- - - - 24
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- - - - 55
Enzyme Hydrolase
- 0.0267-930 16-18 7-340 0-100
Enzyme Oxidoreductase
- 40 - - 31.2-83
Enzyme Transferase
- 110 - 0.151 -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor epsilon subunit
- 44 - 152.28 92.8
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Cannabinoid receptor
- - - - 24-29
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- - - 220 -
Membrane receptor
- 12.21 - 220 4.03-20
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 680 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- 27-710 - 40-40 4-16.2
Cercopithecidae
- 75 - - -
Electrophorus electricus
- 2-930 16 10-340 0-100
Equus asinus
- 10 - - -
Equus caballus
- 0.05-820 - 7-17.2 57.08-100
Homo sapiens
- 7.53-926 - 7-225 0-92.8
Mus musculus
- 30-200 - 220-220 -
Rattus norvegicus
- 9-600 - - 4.62-54.91
Torpedo californica
- 8.2-190 - 40 -

Related Entries

Cross References

Resources Reference
ChEBI 45980
ChEMBL CHEMBL95
DrugBank DB00382
DrugCentral 2551
FDA SRS 4VX7YNB537
Human Metabolome Database HMDB0014526
Guide to Pharmacology 6687
KEGG C01453
PDB THA
PharmGKB PA451576
PubChem 1935
SureChEMBL SCHEMBL2828
ZINC ZINC000019014866
CONTENTS