tacrine

Ligand id: 6687

Name: tacrine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 38.91
Molecular weight 198.12
XLogP 3.19
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1993))
IUPAC Name
1,2,3,4-tetrahydroacridin-9-amine
International Nonproprietary Names
INN number INN
800 tacrine
Synonyms
CI-970 | Cognex® | tetrahydroaminoacridine
Database Links
CAS Registry No. 321-64-2
ChEBI CHEBI:45980
ChEMBL Ligand CHEMBL95
DrugBank Ligand DB00382
GtoPdb PubChem SID 178103299
PubChem CID 1935
RCSB PDB Ligand THA
Search Google for chemical match using the InChIKey YLJREFDVOIBQDA-UHFFFAOYSA-N
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Search PubMed clinical trials tacrine
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Search UniChem for chemical match using the InChIKey YLJREFDVOIBQDA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YLJREFDVOIBQDA
SynPHARM 78671 (in complex with butyrylcholinesterase)
Wikipedia Tacrine
Comments
Tacrine is a dual inhibitor of butyrylcholine esterase (P06276) and acetylcholinesterase (P22303). Marketed formulations may contain tacrine hydrochloride (PubChem CID 2723754).