TACRINE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 4966RNG0BU
EPA CompTox DTXSID1026112

Structure

InChI Key ZUFVXZVXEJHHBN-UHFFFAOYSA-N
Smiles Cl.Nc1c2c(nc3ccccc13)CCCC2
InChI
InChI=1S/C13H14N2.ClH/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);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H15ClN2
Molecular Weight 234.73
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

Mechanism of Action Action Reference
Cholinesterases; ACHE & BCHE inhibitor INHIBITOR PubMed PubMed PubMed PubMed DailyMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 10.6-500 - 101-225 7-70.8
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- 130-130 - - -
Electrophorus electricus
- 42.3-193 - - -
Equus caballus
- 8.45-27.1 - - -
Homo sapiens
- 23-500 - 101-225 7-70.8
Rattus norvegicus
- - - - 81.6-92.6

Cross References

Resources Reference
ChEBI 45980
ChEMBL CHEMBL1677
FDA SRS 4966RNG0BU
Guide to Pharmacology 6687
KEGG C01453
PDB THA
PubChem 2723754
SureChEMBL SCHEMBL3270
ZINC ZINC00016827
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