Detailed information for compound 54174

Basic information

Technical information
  • TDR Targets ID: 54174
  • Name: 4-(acridin-9-ylamino)-N-[2-(acridin-9-ylamino )ethyl]butanamide
  • MW: 499.606 | Formula: C32H29N5O
  • H donors: 3 H acceptors: 3 LogP: 6.4 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NCCNc1c2ccccc2nc2c1cccc2)CCCNc1c2ccccc2nc2c1cccc2
  • InChi: 1S/C32H29N5O/c38-30(18-9-19-34-31-22-10-1-5-14-26(22)36-27-15-6-2-11-23(27)31)33-20-21-35-32-24-12-3-7-16-28(24)37-29-17-8-4-13-25(29)32/h1-8,10-17H,9,18-21H2,(H,33,38)(H,34,36)(H,35,37)
  • InChiKey: MKLIWUAZNOFJNN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(9-acridinylamino)-N-[2-(9-acridinylamino)ethyl]butanamide
  • 4-(acridin-9-ylamino)-N-[2-(acridin-9-ylamino)ethyl]butyramide
  • 94731-72-3
  • 4-(9-Acridinylamino)-N-(2-(9-acridinylamino)ethyl)butanamide
  • Butanamide, 4-(9-acridinylamino)-N-(2-(9-acridinylamino)ethyl)-

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0097 0.2523 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0097 0.2523 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0656 0.26
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0303 1 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.2523 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.2523 1
Schistosoma mansoni nuclear hormone receptor 0.0046 0.0656 0.2544
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0097 0.2523 1
Brugia malayi Nuclear hormone receptor-like 1 0.0051 0.0856 0.3342
Loa Loa (eye worm) hypothetical protein 0.0046 0.0656 0.26
Loa Loa (eye worm) hypothetical protein 0.0051 0.0856 0.3392
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0046 0.0656 0.2544
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0231 0.0848
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0097 0.2523 1
Brugia malayi nuclear receptor RXR 0.0046 0.0656 0.2544
Loa Loa (eye worm) steroid hormone receptor 0.0097 0.2523 1
Schistosoma mansoni retinoic acid receptor RXR 0.0097 0.2523 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0097 0.2523 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.016 0.4789 0.5
Schistosoma mansoni coup transcription factor 0.0097 0.2523 1
Brugia malayi ecdysone receptor 0.0046 0.0656 0.2544
Brugia malayi orphan nuclear receptor NR2E1 0.0046 0.0656 0.2544
Schistosoma mansoni nuclear receptor nhr-48 0.0046 0.0656 0.2544
Loa Loa (eye worm) hypothetical protein 0.0046 0.0656 0.26
Echinococcus granulosus ecdysone induced protein 78C 0.0097 0.2523 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0856 0.3392
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0051 0.0856 0.3392
Onchocerca volvulus 0.0097 0.2523 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0097 0.2523 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0656 0.26
Brugia malayi nuclear receptor RXR 0.0051 0.0856 0.3342
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0046 0.0656 0.2544
Loa Loa (eye worm) hypothetical protein 0.005 0.0806 0.3196
Echinococcus granulosus FTZ F1 alpha 0.0097 0.2523 1
Brugia malayi tailless protein 0.0046 0.0656 0.2544
Loa Loa (eye worm) hypothetical protein 0.0028 0.0019 0.0075
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0097 0.2523 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0097 0.2523 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0097 0.2523 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0231 0.0917
Brugia malayi nuclear hormone receptor 0.0046 0.0656 0.2544
Loa Loa (eye worm) hypothetical protein 0.0097 0.2523 1
Schistosoma mansoni nuclear hormone receptor 0.0097 0.2523 1
Schistosoma mansoni hypothetical protein 0.0034 0.0231 0.0848
Echinococcus multilocularis thyroid hormone receptor alpha 0.0097 0.2523 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0097 0.2523 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0046 0.0656 0.2544
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0144 0.42 0.3871
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0097 0.2523 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0856 0.3392
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0097 0.2523 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0656 0.26
Echinococcus multilocularis nuclear receptor nhr 48 0.0046 0.0656 0.2544
Echinococcus granulosus Nuclear hormone receptor HR96 0.0046 0.0656 0.2544
Loa Loa (eye worm) nuclear receptor NHR-67 0.0046 0.0656 0.26
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0046 0.0656 0.2544
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0046 0.0656 0.26
Brugia malayi nuclear hormone receptor 0.0097 0.2523 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0097 0.2523 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.2523 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0303 1 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0046 0.0656 0.2544
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0046 0.0656 0.2544
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0097 0.2523 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.2523 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0046 0.0656 0.2544
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0097 0.2523 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0656 0.26
Brugia malayi Nuclear hormone receptor E75 0.0046 0.0656 0.2544
Brugia malayi nuclear receptor NHR-67 0.0046 0.0656 0.2544
Loa Loa (eye worm) hypothetical protein 0.0046 0.0656 0.26
Brugia malayi nuclear hormone receptor family member odr-7 0.0046 0.0656 0.2544
Onchocerca volvulus 0.0046 0.0656 0.2544
Echinococcus multilocularis ecdysone induced protein 78C 0.0097 0.2523 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0097 0.2523 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0097 0.2523 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0656 0.26
Schistosoma mansoni nuclear hormone receptor 0.0046 0.0656 0.2544
Schistosoma mansoni zinc finger protein 0.0046 0.0656 0.2544
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0097 0.2523 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0806 0.3145
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0051 0.0856 0.3342
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0097 0.2523 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0097 0.2523 1
Brugia malayi Nuclear hormone receptor E75 0.0046 0.0656 0.2544
Brugia malayi hypothetical protein 0.0046 0.0656 0.2544
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0046 0.0656 0.2544
Schistosoma mansoni RAR-like nuclear receptor 0.0097 0.2523 1
Loa Loa (eye worm) DR-78 0.0046 0.0656 0.26
Loa Loa (eye worm) hypothetical protein 0.0051 0.0856 0.3392
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0046 0.0656 0.2544
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0097 0.2523 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0097 0.2523 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0097 0.2523 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.2523 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0097 0.2523 1
Schistosoma mansoni thyroid hormone receptor 0.0097 0.2523 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0097 0.2523 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.2523 1
Brugia malayi ecdysteroid receptor 0.0097 0.2523 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0046 0.0656 0.2544
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0097 0.2523 1
Loa Loa (eye worm) nuclear hormone receptor 0.0046 0.0656 0.26
Loa Loa (eye worm) hypothetical protein 0.0046 0.0656 0.26
Schistosoma mansoni thyroid hormone receptor 0.0097 0.2523 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0806 0.3145
Echinococcus granulosus nuclear receptor nhr 48 0.0046 0.0656 0.2544
Brugia malayi nuclear receptor NHR-88 0.0046 0.0656 0.2544
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0097 0.2523 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0097 0.2523 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0052 0.0876 0.0358
Brugia malayi hypothetical protein 0.0051 0.0856 0.3342
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0097 0.2523 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0144 0.42 0.3871
Brugia malayi Steroid receptor seven-up type 2 0.0097 0.2523 1
Echinococcus multilocularis FTZ F1 alpha 0.0097 0.2523 1
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0019 0.0075
Brugia malayi hypothetical protein 0.0046 0.0656 0.2544
Brugia malayi nuclear receptor NHR-88 0.0097 0.2523 1
Brugia malayi hypothetical protein 0.0051 0.0856 0.3342
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0303 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0097 0.2523 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0097 0.2523 1
Brugia malayi Cytochrome P450 family protein 0.005 0.081 0.3161
Brugia malayi steroid hormone receptor 0.0097 0.2523 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0097 0.2523 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0656 0.26
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0046 0.0656 0.2544
Onchocerca volvulus Bile acid receptor homolog 0.0097 0.2523 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0097 0.2523 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0051 0.0856 0.3342
Loa Loa (eye worm) hypothetical protein 0.0046 0.0656 0.26
Loa Loa (eye worm) hypothetical protein 0.0046 0.0656 0.26
Toxoplasma gondii hypothetical protein 0.0049 0.0765 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0097 0.2523 1
Schistosoma mansoni nuclear receptor 0.0046 0.0656 0.2544
Echinococcus granulosus Nuclear hormone receptor HR96 0.0046 0.0656 0.2544
Brugia malayi nuclear hormone receptor family member nhr-6 0.0046 0.0656 0.2544
Brugia malayi conserved hypotetical protein 0.0046 0.0656 0.2544
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0051 0.0856 0.3342
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0097 0.2523 1
Onchocerca volvulus 0.0046 0.0656 0.2544
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0019 0.0075
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0097 0.2523 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0097 0.2523 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0656 0.26
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0046 0.0656 0.2544
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0046 0.0656 0.2544
Loa Loa (eye worm) hypothetical protein 0.0097 0.2523 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0051 0.0856 0.3342
Schistosoma mansoni nuclear receptor 0.0046 0.0656 0.2544
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0097 0.2523 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0097 0.2523 1
Loa Loa (eye worm) cytochrome P450 family protein 0.005 0.081 0.3212
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0097 0.2523 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0097 0.2523 1
Brugia malayi Nuclear hormone receptor-like 1 0.0097 0.2523 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0856 0.3392
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0806 0.3196
Brugia malayi Nuclear hormone receptor-like 1 0.0051 0.0856 0.3342
Mycobacterium ulcerans hypothetical protein 0.016 0.4789 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0097 0.2523 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0097 0.2523 1

Activities

Activity type Activity value Assay description Source Reference
C50 (binding) = 0.6 nM Inhibitory concentration against ethidium bromide binding to DNA ChEMBL. 4067986
C50 (binding) = 1.2 nM Inhibitory concentration against ethidium bromide binding to DNA ChEMBL. 4067986
ID50 (functional) > 3500 nM In vitro inhibitory dose that reduces L1210 cell line by 50% when added for a period of 70h ChEMBL. 4067986
ID50 (functional) > 3500 nM In vitro inhibitory dose that reduces L1210 cell line by 50% when added for a period of 70h ChEMBL. 4067986
ILS (functional) < 20 % The % increase in lifespan of treated animals over that of control group of animals injected with tumor alone ChEMBL. 4067986
ILS (functional) < 20 % The % increase in lifespan of treated animals over that of control group of animals injected with tumor alone ChEMBL. 4067986
OD (functional) = 50 mg kg-1 Highest nontoxic optimal dose administered intraperitoneally after inoculation of P388 leukemia cells ChEMBL. 4067986
OD (functional) = 50 mg kg-1 Highest nontoxic optimal dose administered intraperitoneally after inoculation of P388 leukemia cells ChEMBL. 4067986
Rm = -0.19 Lipophilicity (Rm) ChEMBL. 4067986

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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