Detailed information for compound 183174

Basic information

Technical information
  • TDR Targets ID: 183174
  • Name: 6-carbamimidoyl-N-(1-cyclopentyl-3,4-dihydroi soquinolin-7-yl)naphthalene-2-carboxamide
  • MW: 410.511 | Formula: C26H26N4O
  • H donors: 2 H acceptors: 1 LogP: 4.23 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc2c(c1)ccc(c2)C(=N)N)Nc1ccc2c(c1)C(=NCC2)C1CCCC1
  • InChi: 1S/C26H26N4O/c27-25(28)20-7-5-19-14-21(8-6-18(19)13-20)26(31)30-22-10-9-16-11-12-29-24(23(16)15-22)17-3-1-2-4-17/h5-10,13-15,17H,1-4,11-12H2,(H3,27,28)(H,30,31)
  • InChiKey: YWZCPTFDCKPYIP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

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

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens protease, serine, 1 (trypsin 1) Starlite/ChEMBL References
Homo sapiens plasminogen activator, tissue Starlite/ChEMBL References
Homo sapiens plasminogen activator, urokinase Starlite/ChEMBL References
Homo sapiens coagulation factor II (thrombin) Starlite/ChEMBL References
Homo sapiens plasminogen Starlite/ChEMBL References
Homo sapiens kallikrein B, plasma (Fletcher factor) 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Get druggable targets OG5_126639 All targets in OG5_126639
Toxoplasma gondii PAN domain-containing protein Get druggable targets OG5_134971 All targets in OG5_134971
Schistosoma japonicum ko:K09639 transmembrane protease, serine 8, putative Get druggable targets OG5_126639 All targets in OG5_126639
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126639 All targets in OG5_126639
Toxoplasma gondii PAN domain-containing protein Get druggable targets OG5_134971 All targets in OG5_134971
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126639 All targets in OG5_126639
Onchocerca volvulus Get druggable targets OG5_126639 All targets in OG5_126639
Onchocerca volvulus Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Get druggable targets OG5_126639 All targets in OG5_126639
Brugia malayi Trypsin family protein Get druggable targets OG5_126639 All targets in OG5_126639
Neospora caninum hypothetical protein Get druggable targets OG5_134971 All targets in OG5_134971
Neospora caninum hypothetical protein Get druggable targets OG5_134971 All targets in OG5_134971
Schistosoma japonicum ko:K09639 transmembrane protease, serine 8, putative Get druggable targets OG5_126639 All targets in OG5_126639
Neospora caninum hypothetical protein Get druggable targets OG5_134971 All targets in OG5_134971
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 %
Brugia malayi Trypsin family protein protease, serine, 1 (trypsin 1) 247 aa 287 aa 21.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0133 0.0515 0.0515
Loa Loa (eye worm) hypothetical protein 0.0133 0.0515 0.0515
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0662 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0133 0.0515 0.0515
Onchocerca volvulus 0.0106 0.0032 0.0032
Brugia malayi Trypsin family protein 0.0133 0.0515 0.0515
Trypanosoma cruzi hypothetical protein, conserved 0.0105 0 0.5
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0662 1 1
Toxoplasma gondii PAN domain-containing protein 0.0373 0.4824 1
Schistosoma mansoni serine/threonine protein kinase 0.0662 1 1
Loa Loa (eye worm) hypothetical protein 0.0133 0.0515 0.0515
Plasmodium falciparum cysteine repeat modular protein 1 0.0105 0 0.5
Leishmania major hypothetical protein, conserved 0.0105 0 0.5
Toxoplasma gondii PAN domain-containing protein 0.0373 0.4824 1
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0662 1 1
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0105 0 0.5
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0662 1 1
Onchocerca volvulus 0.0133 0.0515 0.0515
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0662 1 1
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0662 1 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 35.5 nM Binding affinity to human urokinase-type plasminogen activator (microPa). ChEMBL. 14711304
Ki (binding) = 35.5 nM Binding affinity to human urokinase-type plasminogen activator (microPa). ChEMBL. 14711304
Ki (binding) = 58 nM Binding affinity against porcine trypsin was determined. ChEMBL. 14711304
Ki (binding) = 58 nM Binding affinity against porcine trypsin was determined. ChEMBL. 14711304
Ki (binding) = 765 nM Binding affinity towards human plasmin. ChEMBL. 14711304
Ki (binding) = 765 nM Binding affinity towards human plasmin. ChEMBL. 14711304
Ki (binding) = 849 nM Binding affinity against human plasma kallikrein. ChEMBL. 14711304
Ki (binding) = 849 nM Binding affinity against human plasma kallikrein. ChEMBL. 14711304
Ki (binding) = 3130 nM Binding affinity towards human Tissue type plasminogen activator. ChEMBL. 14711304
Ki (binding) = 3130 nM Binding affinity towards human Tissue type plasminogen activator. ChEMBL. 14711304
Ki (binding) = 5310 nM Binding affinity against human alpha thrombin. ChEMBL. 14711304
Ki (binding) = 5310 nM Binding affinity against human alpha thrombin. 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.

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