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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL43184
CHEMBL43184
Compound Name AMINACRINE
ChEMBL Synonyms AMINOACRIDINE | AMINACRINE HYDROCHLORIDE | MONACRIN | 9-Aminoacridine
Max Phase 0
Trade Names
Molecular Formula C13H10N2

Additional synonyms for CHEMBL43184 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1c2ccccc2nc3ccccc13
Standard InChI InChI=1S/C13H10N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12) ...
Download InChI
Standard InChI Key XJGFWWJLMVZSIG-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL43184

Molecule Features

CHEMBL43184 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov AMINACRINE
The Cochrane Collaboration AMINACRINE

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 CHEMBL43184. 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 0.997
CHEMBL5077 Butyrylcholinesterase Equus caballus 0.923
CHEMBL4429 Neurokinin 3 receptor Homo sapiens 0.662
CHEMBL3356 Cytochrome P450 1A2 Homo sapiens 0.654
CHEMBL5763 Cholinesterase Equus caballus 0.598
CHEMBL1914 Butyrylcholinesterase Homo sapiens 0.477
CHEMBL4078 Acetylcholinesterase Electrophorus electricus 0.474
CHEMBL220 Acetylcholinesterase Homo sapiens 0.304



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4768 Acetylcholinesterase Bos taurus 0.987
CHEMBL4429 Neurokinin 3 receptor Homo sapiens 0.522
CHEMBL3356 Cytochrome P450 1A2 Homo sapiens 0.449
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.386
CHEMBL2916 Telomerase reverse transcriptase Homo sapiens 0.313
CHEMBL1293277 Niemann-Pick C1 protein Homo sapiens 0.304
CHEMBL1293226 Lysine-specific demethylase 4D-like Homo sapiens 0.303
CHEMBL3563 Cruzipain Trypanosoma cruzi 0.244

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
194.2 194.0844 2.61 0 38.9 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
- 9.66 2.74 .67 3 15 0.56

Structural Alerts

There are 6 structural alerts for CHEMBL43184. To view alerts please click here.

Compound Cross References

ATC D - DERMATOLOGICALS
D08 - ANTISEPTICS AND DISINFECTANTS
D08A - ANTISEPTICS AND DISINFECTANTS
D08AA - Acridine derivatives
D08AA02 - aminoacridine

ChemSpider ChemSpider:XJGFWWJLMVZSIG-UHFFFAOYSA-N
PubChem SID: 26748404 SID: 26748405 SID: 50107395
Wikipedia 9-Aminoacridine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL43184



ACToR 90-45-9 148651-03-0
BindingDB 72700
Brenda 11111
ChEBI 74789
DrugBank DB11561
DrugCentral 160
eMolecules 711654
EPA CompTox Dashboard DTXSID2024456
FDA SRS 78OY3Z0P7Z
IBM Patent System 30DA1EECCEA4BD1F545FE409CFD4B431
LINCS LSM-15516
Mcule MCULE-4734217474
MolPort MolPort-001-738-830
Nikkaji J3.917I J761.367I
NMRShiftDB 20209281
PubChem 7019
PubChem: Thomson Pharma 15237893
SureChEMBL SCHEMBL14999
ZINC ZINC000019014768

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