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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1337960
CHEMBL1337960
Compound Name
ChEMBL Synonyms [14C]-Tacrine Monohydrate Monohydrochloride
Max Phase 0
Trade Names
Molecular Formula C13H17ClN2O

Additional synonyms for CHEMBL1337960 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O.Cl.Nc1c2CCCCc2nc3ccccc13
Standard InChI InChI=1S/C13H14N2.ClH.H2O/c14-13-9-5-1-3-7-11(9)15-12-8-4-2- ...
Download InChI
Standard InChI Key PXGRMZYJAOQPNZ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1337960

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1337960. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL4768 Acetylcholinesterase Bos taurus 1.000
CHEMBL1914 Butyrylcholinesterase Homo sapiens 1.000
CHEMBL5077 Butyrylcholinesterase Equus caballus 1.000
CHEMBL4078 Acetylcholinesterase Electrophorus electricus 1.000
CHEMBL220 Acetylcholinesterase Homo sapiens 1.000
CHEMBL5763 Cholinesterase Equus caballus 1.000
CHEMBL3403 Butyrylcholinesterase Rattus norvegicus 1.000
CHEMBL4780 Acetylcholinesterase Torpedo californica 1.000
CHEMBL3199 Acetylcholinesterase Rattus norvegicus 0.999
CHEMBL3105 Poly [ADP-ribose] polymerase-1 Homo sapiens 0.982



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4768 Acetylcholinesterase Bos taurus 1.000
CHEMBL1914 Butyrylcholinesterase Homo sapiens 1.000
CHEMBL4078 Acetylcholinesterase Electrophorus electricus 1.000
CHEMBL220 Acetylcholinesterase Homo sapiens 1.000
CHEMBL5763 Cholinesterase Equus caballus 1.000
CHEMBL5077 Butyrylcholinesterase Equus caballus 1.000
CHEMBL3403 Butyrylcholinesterase Rattus norvegicus 1.000
CHEMBL4780 Acetylcholinesterase Torpedo californica 1.000
CHEMBL3199 Acetylcholinesterase Rattus norvegicus 1.000
CHEMBL3105 Poly [ADP-ribose] polymerase-1 Homo sapiens 0.985
CHEMBL3241 Histamine N-methyltransferase Rattus norvegicus 0.952
CHEMBL1293277 Niemann-Pick C1 protein Homo sapiens 0.259
CHEMBL4159 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens 0.236

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
198.3 198.1157 2.7 0 38.91 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.64 2.56 .51 2 15 0.71

Structural Alerts

There are 1 structural alerts for CHEMBL1337960. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PXGRMZYJAOQPNZ-UHFFFAOYSA-N
PubChem SID: 11112951 SID: 56424070

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1337960



eMolecules 534131
EPA CompTox Dashboard DTXSID80221711
FDA SRS MQ603P8SBL
MolPort MolPort-001-761-290
PubChem 43834205 6420002
SureChEMBL SCHEMBL2236694

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/PXGRMZYJAOQPNZ-UHFFFAOYSA-N spacer
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