Detailed information for compound 284262

Basic information

Technical information
  • TDR Targets ID: 284262
  • Name: 2-[(E)-2-[4-(4-carbamimidoylphenoxy)phenyl]et henyl]-1H-indole-6-carboximidamide
  • MW: 395.456 | Formula: C24H21N5O
  • H donors: 3 H acceptors: 0 LogP: 3.81 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)c1ccc(cc1)Oc1ccc(cc1)/C=C/c1cc2c([nH]1)cc(cc2)C(=N)N
  • InChi: 1S/C24H21N5O/c25-23(26)16-6-11-21(12-7-16)30-20-9-2-15(3-10-20)1-8-19-13-17-4-5-18(24(27)28)14-22(17)29-19/h1-14,29H,(H3,25,26)(H3,27,28)/b8-1+
  • InChiKey: YKVHMCUFFLUYBW-UNXLUWIOSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(E)-2-[4-(4-carbamimidoylphenoxy)phenyl]vinyl]-1H-indole-6-carboxamidine
  • 2-[(E)-2-[4-(4-amidinophenoxy)phenyl]vinyl]-1H-indole-6-carboxamidine
  • 73819-47-3
  • 1H-Indole-6-carboximidamide, 2-[(E)-2-[4-[4-(aminoiminomethyl)phenoxy]phenyl]ethenyl]-
  • AIDS-212643
  • AIDS212643
  • 1H-INDOLE-6-CARBOXIMIDAMIDE, 2-(2-(4-(4-(AMINOIMINOMETHYL)PHENOXY)PHENYL)ETHENYL
  • 1H-Indole-6-carboximidamide, 2-(2-(4-(4-(aminoiminomethyl)phenoxy)phenyl)ethenyl)-
  • 2-(2-(4-(4-(Aminoiminomethyl)phenoxy)phenyl)ethenyl)-1H-indole-6-carboximidamide

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
Brugia malayi Immunoglobulin I-set domain containing protein 0.0151 0.4409 0.6567
Schistosoma mansoni gliotactin 0.0038 0.0926 0.138
Schistosoma mansoni BC026374 protein (S09 family) 0.0038 0.0926 0.138
Brugia malayi Carboxylesterase family protein 0.0038 0.0926 0.138
Schistosoma mansoni frizzled-like receptor 0.0015 0.0212 0.0316
Loa Loa (eye worm) hypothetical protein 0.0038 0.0926 0.0946
Echinococcus granulosus carboxylesterase 5A 0.0226 0.6713 0.6701
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0038 0.0926 0.5
Loa Loa (eye worm) frizzled/Smoothened family membrane region containing protein 0.0015 0.0212 0.0216
Loa Loa (eye worm) hypothetical protein 0.0038 0.0926 0.0946
Loa Loa (eye worm) hypothetical protein 0.0326 0.9788 1
Echinococcus multilocularis acetylcholinesterase 0.0226 0.6713 0.6701
Echinococcus multilocularis acetylcholinesterase 0.0226 0.6713 0.6701
Echinococcus multilocularis frizzled 4 0.0015 0.0212 0.0176
Brugia malayi Carboxylesterase family protein 0.0038 0.0926 0.138
Loa Loa (eye worm) carboxylesterase 0.0038 0.0926 0.0946
Loa Loa (eye worm) hypothetical protein 0.0009 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0009 0.0037 0.0037
Schistosoma mansoni vesicular amine transporter 0.0009 0.0037 0.0054
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0038 0.0926 0.5
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0038 0.0926 0.5
Schistosoma mansoni cell adhesion molecule 0.0012 0.013 0.0194
Schistosoma mansoni neuroligin 3 (S09 family) 0.0038 0.0926 0.138
Echinococcus multilocularis frizzled 0.0015 0.0212 0.0176
Echinococcus multilocularis carboxylesterase 5A 0.0226 0.6713 0.6701
Loa Loa (eye worm) hypothetical protein 0.0009 0.0037 0.0037
Loa Loa (eye worm) carboxylesterase 0.0038 0.0926 0.0946
Echinococcus granulosus frizzled 4 0.0015 0.0212 0.0176
Echinococcus granulosus frizzled 5 0.0015 0.0212 0.0176
Echinococcus granulosus neuroglian 0.0012 0.011 0.0073
Loa Loa (eye worm) hypothetical protein 0.0038 0.0926 0.0946
Echinococcus multilocularis neuroglian 0.0012 0.011 0.0073
Onchocerca volvulus Tyrosine kinase homolog 0.0141 0.4102 1
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0009 0.0037 0.0054
Loa Loa (eye worm) hypothetical protein 0.0038 0.0926 0.0946
Loa Loa (eye worm) hypothetical protein 0.0015 0.0203 0.0208
Brugia malayi Carboxylesterase family protein 0.0226 0.6713 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0038 0.0926 0.0893
Echinococcus multilocularis frizzled 10 0.0015 0.0212 0.0176
Loa Loa (eye worm) hypothetical protein 0.0009 0.0037 0.0037
Echinococcus granulosus neuroligin 0.0038 0.0926 0.0893
Brugia malayi Immunoglobulin I-set domain containing protein 0.0009 0.0037 0.0054
Brugia malayi Frizzled/Smoothened family membrane region containing protein 0.0015 0.0212 0.0316
Loa Loa (eye worm) hypothetical protein 0.0038 0.0926 0.0946
Loa Loa (eye worm) hypothetical protein 0.0038 0.0926 0.0946
Brugia malayi Fibronectin type III domain containing protein 0.0009 0.0037 0.0054
Loa Loa (eye worm) hypothetical protein 0.0226 0.6713 0.6859
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0038 0.0926 0.138
Echinococcus granulosus frizzled 0.0015 0.0212 0.0176
Schistosoma mansoni frizzled-like receptor 0.0015 0.0212 0.0316
Loa Loa (eye worm) hypothetical protein 0.0009 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0009 0.0037 0.0037
Echinococcus multilocularis roundabout 2 0.0015 0.0203 0.0167
Loa Loa (eye worm) carboxylesterase 0.0226 0.6713 0.6859
Mycobacterium ulcerans carboxylesterase, LipT 0.0038 0.0926 0.5
Echinococcus granulosus acetylcholinesterase 0.0226 0.6713 0.6701
Echinococcus granulosus para nitrobenzyl esterase 0.0038 0.0926 0.0893
Onchocerca volvulus 0.0138 0.4002 0.9687
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0226 0.6713 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0038 0.0926 0.138
Loa Loa (eye worm) hypothetical protein 0.0015 0.0203 0.0208
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0038 0.0926 0.0893
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0151 0.4409 0.4504
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0038 0.0926 0.138
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0009 0.0037 0.0054
Mycobacterium tuberculosis Carboxylesterase LipT 0.0038 0.0926 0.5
Brugia malayi Carboxylesterase family protein 0.0226 0.6713 1
Echinococcus multilocularis neuroligin 0.0038 0.0926 0.0893
Echinococcus granulosus frizzled 0.0015 0.0212 0.0176
Loa Loa (eye worm) hypothetical protein 0.0038 0.0926 0.0946
Echinococcus granulosus acetylcholinesterase 0.0226 0.6713 0.6701
Brugia malayi Frizzled/Smoothened family membrane region containing protein 0.0015 0.0212 0.0316
Brugia malayi Carboxylesterase family protein 0.0038 0.0926 0.138
Echinococcus granulosus roundabout 2 0.0015 0.0203 0.0167
Echinococcus multilocularis BC026374 protein (S09 family) 0.0038 0.0926 0.0893
Trichomonas vaginalis spcc417.12 protein, putative 0.0038 0.0926 0.5
Echinococcus multilocularis para nitrobenzyl esterase 0.0038 0.0926 0.0893
Echinococcus multilocularis smoothened 0.0333 1 1
Echinococcus multilocularis frizzled 0.0015 0.0212 0.0176
Brugia malayi hypothetical protein 0.0038 0.0926 0.138
Loa Loa (eye worm) acetylcholinesterase 1 0.0226 0.6713 0.6859
Loa Loa (eye worm) frizzled/Smoothened family membrane region containing protein 0.0015 0.0212 0.0216
Brugia malayi Carboxylesterase family protein 0.0038 0.0926 0.138
Brugia malayi hypothetical protein 0.0009 0.0037 0.0054
Loa Loa (eye worm) hypothetical protein 0.0012 0.013 0.0133
Echinococcus granulosus BC026374 protein S09 family 0.0038 0.0926 0.0893
Schistosoma mansoni nephrin 0.0012 0.011 0.0164
Schistosoma mansoni acetylcholinesterase 0.0038 0.0926 0.138
Schistosoma mansoni frizzled 0.0015 0.0212 0.0316
Loa Loa (eye worm) hypothetical protein 0.0226 0.6713 0.6859
Echinococcus granulosus frizzled 0.0015 0.0212 0.0176
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0012 0.013 0.0094
Echinococcus granulosus twitchin 0.0012 0.011 0.0073
Echinococcus multilocularis frizzled 5 0.0015 0.0212 0.0176

Activities

Activity type Activity value Assay description Source Reference
ID50 (binding) = 1.4 ug ml-1 Inhibitory dose against oncornaviral DNA polymerase activity of moloney murine leukemia virus ChEMBL. 6157024
ID50 (binding) = 1.4 ug ml-1 Inhibitory dose against oncornaviral DNA polymerase activity of moloney murine leukemia virus ChEMBL. 6157024

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.