tacrine   Click here for help

GtoPdb Ligand ID: 6687

Synonyms: CI-970 | Cognex® | tetrahydroaminoacridine
Approved drug PDB Ligand
tacrine is an approved drug (FDA (1993))
Compound class: Synthetic organic
Comment: Tacrine is a dual inhibitor of butyrylcholine esterase (P06276) and acetylcholinesterase (P22303). Marketed formulations may contain tacrine hydrochloride (PubChem CID 2723754).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 38.91
Molecular weight 198.12
XLogP 2.23
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Nc1c2CCCCc2nc2c1cccc2
Isomeric SMILES Nc1c2CCCCc2nc2c1cccc2
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)
InChI Key YLJREFDVOIBQDA-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1993))
IUPAC Name Click here for help
1,2,3,4-tetrahydroacridin-9-amine
International Nonproprietary Names Click here for help
INN number INN
800 tacrine
Synonyms Click here for help
CI-970 | Cognex® | tetrahydroaminoacridine
Database Links Click here for help
CAS Registry No. 321-64-2
ChEBI CHEBI:45980
ChEMBL Ligand CHEMBL95
DrugBank Ligand DB00382
DrugCentral Ligand 2551
GtoPdb PubChem SID 178103299
PubChem CID 1935
RCSB PDB Ligand THA
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SynPHARM 78671 (in complex with butyrylcholinesterase)
Wikipedia Tacrine