Detailed information for compound 170446

Basic information

Technical information
  • TDR Targets ID: 170446
  • Name: 7-methoxy-8-(1H-pyrazol-4-yl)naphthalene-2-ca rboximidamide
  • MW: 266.298 | Formula: C15H14N4O
  • H donors: 2 H acceptors: 1 LogP: 2.03 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1c1c[nH]nc1)cc(cc2)C(=N)N
  • InChi: 1S/C15H14N4O/c1-20-13-5-4-9-2-3-10(15(16)17)6-12(9)14(13)11-7-18-19-8-11/h2-8H,1H3,(H3,16,17)(H,18,19)
  • InChiKey: FUHODHYFYDOTQV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-methoxy-8-(1H-pyrazol-4-yl)naphthalene-2-carboxamidine
  • 7-methoxy-8-(1H-pyrazol-4-yl)-2-naphthalenecarboxamidine
  • 7-methoxy-8-(1H-pyrazol-4-yl)-2-naphthamidine

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
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0024 0.1284 0.5
Loa Loa (eye worm) cytochrome P450 0.0024 0.1284 0.1284
Loa Loa (eye worm) hypothetical protein 0.0019 0.086 0.086
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0024 0.1284 0.5
Brugia malayi Cytochrome P450 family protein 0.0043 0.3285 0.3285
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.2503 0.6093
Brugia malayi Kringle domain containing protein 0.0035 0.2503 0.2503
Onchocerca volvulus 0.0035 0.2503 0.5
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0035 0.2503 0.5
Leishmania major cytochrome p450-like protein 0.0043 0.3285 1
Trypanosoma brucei cytochrome P450, putative 0.0043 0.3285 1
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.3158 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0036 0.2537 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0043 0.3285 0.3285
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0024 0.1284 0.5
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0024 0.1284 0.5
Schistosoma mansoni cytochrome P450 0.0024 0.1284 0.4066
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0038 0.2797 1
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0024 0.1284 0.5
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0024 0.1284 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0043 0.3285 1
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0024 0.1284 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.2503 0.7926
Mycobacterium leprae Conserved hypothetical protein 0.0024 0.1284 0.5
Brugia malayi Cytochrome P450 family protein 0.0024 0.1284 0.1284
Loa Loa (eye worm) hypothetical protein 0.0033 0.2277 0.2277
Brugia malayi cytochrome P450 0.0024 0.1284 0.1284
Toxoplasma gondii kringle domain-containing protein 0.0035 0.2503 1
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0024 0.1284 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0038 0.2797 1
Echinococcus multilocularis tissue type plasminogen activator 0.0035 0.2503 0.8952
Trypanosoma cruzi cytochrome P450, putative 0.0043 0.3285 1
Echinococcus granulosus cytochrome P450 2K1 0.0024 0.1284 0.4592
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0038 0.2797 0.2797
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0024 0.1284 0.5
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0024 0.1284 0.5
Plasmodium falciparum cysteine repeat modular protein 1 0.0035 0.2503 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0043 0.3285 0.3285
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0024 0.1284 0.5
Schistosoma mansoni hypothetical protein 0.0024 0.1284 0.4066
Brugia malayi Protein kinase domain containing protein 0.0035 0.2503 0.2503
Echinococcus granulosus tissue type plasminogen activator 0.0035 0.2503 0.8952
Loa Loa (eye worm) cytochrome P450 family protein 0.0108 1 1
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0024 0.1284 0.5
Brugia malayi Cytochrome P450 family protein 0.0043 0.3285 0.3285
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0024 0.1284 0.5
Leishmania major hypothetical protein, conserved 0.0035 0.2503 0.6093
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0024 0.1284 0.5
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0024 0.1284 0.5
Loa Loa (eye worm) CYP4Cod1 0.0043 0.3285 0.3285
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0024 0.1284 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0036 0.2537 0.5
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0038 0.2797 0.2797
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0024 0.1284 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0043 0.3285 1
Loa Loa (eye worm) TK/ROR protein kinase 0.0035 0.2503 0.2503
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.3158 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.2503 0.2503
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0024 0.1284 0.5
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0024 0.1284 0.5
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0024 0.1284 0.5
Echinococcus multilocularis 0.0024 0.1284 0.4592
Mycobacterium leprae putative cytochrome p450 0.0024 0.1284 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 2.3 uM Binding affinity towards Urokinase-type plasminogen activator (urokinase) ChEMBL. 15149645
Ki (binding) = 2.3 uM Binding affinity towards Urokinase-type plasminogen activator (urokinase) ChEMBL. 15149645

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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