Detailed information for compound 179203

Basic information

Technical information
  • TDR Targets ID: 179203
  • Name: 6-carbamimidoyl-N-[1-(2-methylpropyl)-3,4-dih ydroisoquinolin-7-yl]naphthalene-2-carboxamid e
  • MW: 398.5 | Formula: C25H26N4O
  • H donors: 2 H acceptors: 1 LogP: 3.96 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CC1=NCCc2c1cc(cc2)NC(=O)c1ccc2c(c1)ccc(c2)C(=N)N)C
  • InChi: 1S/C25H26N4O/c1-15(2)11-23-22-14-21(8-7-16(22)9-10-28-23)29-25(30)20-6-4-17-12-19(24(26)27)5-3-18(17)13-20/h3-8,12-15H,9-11H2,1-2H3,(H3,26,27)(H,29,30)
  • InChiKey: KAYDXYLLTFTKMT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-carbamimidoyl-N-(1-isobutyl-3,4-dihydroisoquinolin-7-yl)naphthalene-2-carboxamide
  • 6-carbamimidoyl-N-(1-isobutyl-3,4-dihydroisoquinolin-7-yl)-2-naphthalenecarboxamide
  • 6-amidino-N-(1-isobutyl-3,4-dihydroisoquinolin-7-yl)-2-naphthamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens plasminogen activator, urokinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus Mastin plasminogen activator, urokinase 414 aa 340 aa 24.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0121 0.1099 0.1099
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0432 0.5123 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0432 0.5123 1
Trypanosoma cruzi hypothetical protein, conserved 0.0133 0.1262 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0133 0.1262 0.0081
Loa Loa (eye worm) hypothetical protein 0.0121 0.1099 0.1099
Toxoplasma gondii kringle domain-containing protein 0.0035 0 0.5
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0809 1 1
Brugia malayi Rhodanese-like domain containing protein 0.0131 0.1231 0.1231
Leishmania major hypothetical protein, conserved 0.0133 0.1262 1
Loa Loa (eye worm) hypothetical protein 0.0131 0.1231 0.1231
Plasmodium falciparum cysteine repeat modular protein 1 0.0035 0 0.5
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0809 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0133 0.1262 1
Onchocerca volvulus 0.0131 0.1231 0.2403
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0133 0.1262 0.0081
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0809 1 1
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0432 0.5123 0.5
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0432 0.5123 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0809 1 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0432 0.5123 1
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0432 0.5123 0.5123
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0432 0.5123 1
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0432 0.5123 0.5
Brugia malayi Rhodanese-like domain containing protein 0.0131 0.1231 0.1231
Onchocerca volvulus 0.0432 0.5123 1
Loa Loa (eye worm) hypothetical protein 0.0131 0.1231 0.1231
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0432 0.5123 1
Onchocerca volvulus 0.0131 0.1231 0.2403
Onchocerca volvulus 0.0131 0.1231 0.2403
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0432 0.5123 0.5123
Echinococcus granulosus m phase inducer phosphatasecdc25 0.0131 0.1231 0.1231
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0432 0.5123 1
Schistosoma mansoni m-phase inducer phosphatase(cdc25) 0.0131 0.1231 0.1231
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0133 0.1262 0.5
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0035 0 0.5
Onchocerca volvulus 0.0131 0.1231 0.2403
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0432 0.5123 1
Echinococcus multilocularis m phase inducer phosphatase(cdc25) 0.0131 0.1231 0.1231
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0299 0.3403 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 161 nM Binding affinity to human urokinase-type plasminogen activator (microPa). ChEMBL. 14711304
Ki (binding) = 161 nM Binding affinity to human urokinase-type plasminogen activator (microPa). ChEMBL. 14711304

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.