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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 9-Aminoacridine | Aminoacridine | Aminacrine HCl | Monacrin | Aminacrine
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

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

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

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

Alternate Forms of Compound in ChEMBL


CHEMBL43184

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 0.930
CHEMBL3356 Cytochrome P450 1A2 Homo sapiens 0.647
CHEMBL4429 Neurokinin 3 receptor Homo sapiens 0.647
CHEMBL1914 Butyrylcholinesterase Homo sapiens 0.566
CHEMBL5763 Cholinesterase Equus caballus 0.509
CHEMBL4078 Acetylcholinesterase Electrophorus electricus 0.377
CHEMBL220 Acetylcholinesterase Homo sapiens 0.277



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4768 Acetylcholinesterase Bos taurus 0.987
CHEMBL4429 Neurokinin 3 receptor Homo sapiens 0.455
CHEMBL3356 Cytochrome P450 1A2 Homo sapiens 0.441
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.334
CHEMBL1293277 Niemann-Pick C1 protein Homo sapiens 0.282
CHEMBL1293226 Lysine-specific demethylase 4D-like Homo sapiens 0.272
CHEMBL2916 Telomerase reverse transcriptase Homo sapiens 0.247
CHEMBL3563 Cruzipain Trypanosoma cruzi 0.233
CHEMBL5763 Cholinesterase Equus caballus 0.208

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

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
BindinDB 72700
ChEBI 74789
eMolecules 711654
FDA SRS 78OY3Z0P7Z
IBM Patent System 30DA1EECCEA4BD1F545FE409CFD4B431
IBM Patents WO2007047455A2 US20090143279 US20060166249 US7816398 US20070141714 US5460919 EP0885199A1 EP0633251A1 US20100143404 EP1776952A2 US4427892 WO2003064991A2 US5998193 EP1202706A1 EP1603391A1 WO2003074490A1 US6566068 EP1974052A2 US20060234254 WO2003018548A2 US20060257450 US7843562 WO2004061133A1 EP1411063A1 WO2004032929A2 US20100105911 USRE38133 WO2009000413A1 US6046925 US4601880 US7048933 US4690821 US20100061992 US20080051323 US6831086 US20030175258 WO1992020702A1 US6750216 US20020042399 EP1085011A1 US7390628 EP1867633A1 US5514505 US5696131 US4225783 WO2010027428A1 US20020160383 WO2009114139A2 WO2006042101A1 WO2009026166A2 WO2010103025A1 US20070053842 US20080108131 EP0911039A2 US20010026921 US20040224012 WO2004061416A2 US6203976 US20040180949 US20060142323 US20100129316 WO2010078300A1 US6562363 US5763445 EP2173747A1 WO1999001154A1 US7294647 US20020064775 US20040106589 US20040137034 US5354864 US5777079 US20040175369 EP2004628A2 US7517912 US20040229898 US20050238627 EP1217356A2 US6576636 US20090221095 US20060104966 WO2008136865A2 EP1624855A2 US7576066 US20050281772 US5981513 EP1664062A1 US20050142063 US20070122461 WO1995020404A1 US20040150327 EP1996710A2 US7638527 US20060040879 US7279502 US6319669 US6180623 US20040152649 US20090170132 US20100209357
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

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