TACRINE

Search structure
Synonyms:
Status: Approved (1993)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N06DA01
UNII: 4VX7YNB537

Structure
InChI Key YLJREFDVOIBQDA-UHFFFAOYSA-N
Smile 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
Number of Rotational Bond 0.0
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(%)
Auxiliary transport protein Calcium channel auxiliary subunit alpha2delta family
- 17000 - - -
Auxiliary transport protein Calcium channel auxiliary subunit beta family
- 17000 - - -
Auxiliary transport protein Calcium channel auxiliary subunit gamma family
- 17000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- 1500 - 1940 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
- 96900 - - 55
Enzyme Hydrolase
- 3-1030 16 8-225 0-100
Enzyme Oxidoreductase
- 40 - - 31
Enzyme Transferase
- 110 - 0 -
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor NMDA receptor
- 44000-44000 - - -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor epsilon subunit
- 44 - 152 93
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 17000 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Cannabinoid receptor
- - - - 24
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
6300-6310 2000-2000 - 220 -
Membrane receptor
6300-6310 2000-2000 - 220 4-20
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 7600-19000 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 21720-83000 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters
- 1100 - - -
Transporter Primary active transporter ATP-binding cassette ABCC subfamily
- 23700 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cocaine-Related Disorders 2 D019970 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 45980
ChEMBL CHEMBL95
DrugBank DB00382
DrugCentral 2551
EPA CompTox DTXSID1037272
FDA SRS 4VX7YNB537
Human Metabolome Database HMDB0014526
Guide to Pharmacology 6687
KEGG C01453
PDB THA
PharmGKB PA451576
PubChem 1935
SureChEMBL SCHEMBL2828
ZINC ZINC000019014866
CONTENTS