Detailed information for compound 1637352

Basic information

Technical information
  • TDR Targets ID: 1637352
  • Name: 2-[(2-methylphenyl)methyl]-3H-cinnoline
  • MW: 236.312 | Formula: C16H16N2
  • H donors: 0 H acceptors: 0 LogP: 3.57 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccccc1CN1CC=c2c(=N1)cccc2
  • InChi: 1S/C16H16N2/c1-13-6-2-3-8-15(13)12-18-11-10-14-7-4-5-9-16(14)17-18/h2-10H,11-12H2,1H3
  • InChiKey: LBHPAJAFPKKCPZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(2-methylbenzyl)-3H-cinnoline
  • NSC639680
  • AIDS-051130
  • AIDS051130
  • Cinnoline, 2,3-dihydro-2-[(2-methylphenyl)methyl]-
  • NCI60_013174

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
Schistosoma mansoni potassium-dependent sodium-calcium exchanger 3 4 0.0061 0.0234 0.0234
Schistosoma mansoni hypothetical protein 0.036 0.1476 0.1476
Toxoplasma gondii exonuclease III APE 0.0022 0.0073 0.3068
Trichomonas vaginalis helicase, putative 0.0007 0.0012 0.007
Trypanosoma cruzi importin beta-1 subunit, putative 0.0027 0.0095 1
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0015 0.0015
Echinococcus granulosus sodium:potassium:calcium exchanger 0.0061 0.0234 0.0234
Brugia malayi RNA, U transporter 1 0.0096 0.038 0.0952
Entamoeba histolytica hypothetical protein 0.0027 0.0095 0.4056
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0025 0.0085 0.6959
Schistosoma mansoni importin beta-1 0.0034 0.0122 0.0122
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0012 0.007
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.036 0.1476 0.1476
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0012 0.007
Echinococcus multilocularis snurportin 1 0.036 0.1476 0.1476
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0012 0.007
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.0073 0.7664
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0012 0.007
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0023 0.0023
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0025 0.0085 0.0085
Schistosoma mansoni ap endonuclease 0.0022 0.0073 0.0073
Brugia malayi kap beta 3 protein 0.0006 0.0008 0.002
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0023 0.0023
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0012 0.007
Echinococcus granulosus GTP binding nuclear protein Ran 0.0025 0.0085 0.0085
Loa Loa (eye worm) Na/Ca eXchangers family member 0.0061 0.0234 0.0234
Schistosoma mansoni na/ca exchanger 0.0061 0.0234 0.0234
Echinococcus multilocularis importin 5 0.0006 0.0008 0.0008
Toxoplasma gondii HEAT repeat-containing protein 0.0034 0.0122 0.5117
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0095 0.0544
Plasmodium falciparum transportin 0.0006 0.0008 0.0343
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0012 0.007
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0012 0.007
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0012 0.007
Trichomonas vaginalis importin beta-1, putative 0.0027 0.0095 0.0544
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0012 0.007
Echinococcus granulosus importin 5 0.0006 0.0008 0.0008
Trichomonas vaginalis hypothetical protein 0.0006 0.0008 0.0046
Schistosoma mansoni cpg binding protein 0.0033 0.0117 0.0117
Loa Loa (eye worm) solute carrier family 8 0.2412 1 1
Loa Loa (eye worm) importin-beta domain-containing protein 0.0006 0.0008 0.0008
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0073 0.3109
Brugia malayi Na/Ca eXchangers family member (ncx-4) 0.0061 0.0234 0.0588
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0012 0.007
Brugia malayi Importin beta-1 subunit 0.0034 0.0122 0.0305
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0425 0.1749 1
Echinococcus granulosus cpg binding protein 0.0034 0.0124 0.0124
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0022 0.0073 0.3109
Loa Loa (eye worm) hypothetical protein 0.0965 0.3989 0.3989
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.0073 0.7664
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0023 0.0057
Loa Loa (eye worm) hypothetical protein 0.0061 0.0234 0.0234
Schistosoma mansoni ap endonuclease 0.0022 0.0073 0.0073
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0117 0.0117
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0073 0.0417
Toxoplasma gondii manganese resistance 1 protein, putative 0.0061 0.0234 0.9869
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.0073 0.5
Plasmodium vivax importin-beta 2, putative 0.0034 0.0122 0.5185
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0025 0.0085 0.8897
Loa Loa (eye worm) hypothetical protein 0.0061 0.0234 0.0234
Loa Loa (eye worm) kap beta 3 protein 0.0006 0.0008 0.0008
Schistosoma mansoni potassium-dependent sodium-calcium exchanger 3 4 0.0061 0.0234 0.0234
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.0234 0.1341
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0012 0.007
Echinococcus granulosus importin subunit beta 1 0.0034 0.0122 0.0122
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0015 0.0015
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0012 0.007
Trypanosoma brucei ULK family serine/threonine-protein kinase, putative 0.0006 0.0008 0.0662
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0012 0.007
Brugia malayi CXXC zinc finger family protein 0.0033 0.0117 0.0293
Leishmania major hypothetical protein, conserved 0.0006 0.0008 0.0846
Plasmodium vivax transportin, putative 0.0006 0.0008 0.0343
Onchocerca volvulus 0.0033 0.0117 0.4977
Schistosoma mansoni importin-beta 2 0.0006 0.0008 0.0008
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.0234 0.1341
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.0073 0.3109
Plasmodium vivax cation/H+ antiporter, putative 0.0061 0.0234 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0001 0.0001
Schistosoma mansoni sodium/calcium exchanger 0.2412 1 1
Entamoeba histolytica sodium/calcium exchanger protein, putative 0.0061 0.0234 1
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0073 0.0417
Echinococcus multilocularis sodium:potassium:calcium exchanger 0.0061 0.0234 0.0234
Echinococcus granulosus translational activator gcn1 0.0006 0.0008 0.0008
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0073 0.0073
Echinococcus granulosus snurportin 1 0.036 0.1476 0.1476
Brugia malayi K+-dependent Na+/Ca+ exchanger related-protein 0.0061 0.0234 0.0588
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0122 1
Echinococcus multilocularis sodium calcium exchanger 0.2412 1 1
Schistosoma mansoni cpg binding protein 0.0034 0.0124 0.0124
Entamoeba histolytica HEAT repeat domain containing protein 0.0006 0.0008 0.0343
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0012 0.007
Echinococcus multilocularis cpg binding protein 0.0034 0.0124 0.0124
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0015 0.0015
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.0073 0.7664
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0073 0.0073
Trichomonas vaginalis ran, putative 0.0025 0.0085 0.0484
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0.0073 0.8614
Treponema pallidum hypothetical protein 0.0061 0.0234 1
Echinococcus granulosus sodium:potassium:calcium exchanger 6 0.0061 0.0234 0.0234
Leishmania major importin beta-1 subunit, putative 0.0027 0.0095 1
Echinococcus granulosus transportin 1 0.0006 0.0008 0.0008
Trypanosoma brucei Importin-beta N-terminal domain/HEAT-like repeat, putative 0.0006 0.0008 0.0662
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0073 0.3109
Plasmodium falciparum cation/H+ antiporter 0.0061 0.0234 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.0073 0.5995
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0025 0.0085 0.3609
Echinococcus multilocularis translational activator gcn1 0.0006 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0034 0.0122 0.0122
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0122 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0062 0.0238 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0012 0.007
Echinococcus multilocularis transportin 1 0.0006 0.0008 0.0008
Echinococcus multilocularis sodium:potassium:calcium exchanger 6 0.0061 0.0234 0.0234
Plasmodium falciparum importin beta, putative 0.0034 0.0122 0.5185
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0425 0.1749 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0073 0.0073
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0015 0.0015
Schistosoma mansoni ran 0.0025 0.0085 0.0085
Onchocerca volvulus Sodium\/potassium\/calcium exchanger 0.0061 0.0234 1
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0025 0.0085 0.3609
Loa Loa (eye worm) histone methyltransferase 0.001 0.0023 0.0023
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0025 0.0085 0.8897
Loa Loa (eye worm) hypothetical protein 0.0061 0.0234 0.0234
Schistosoma mansoni cpg binding protein 0.0034 0.0124 0.0124
Toxoplasma gondii HEAT repeat-containing protein 0.0006 0.0008 0.0339
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0069 0.0268 0.0268
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0012 0.007
Brugia malayi Sodium/calcium exchanger protein 0.0965 0.3989 1
Entamoeba histolytica Ran family GTPase 0.0025 0.0085 0.3609
Toxoplasma gondii HEAT repeat-containing protein 0.0006 0.0008 0.0339
Leishmania major GTP-binding protein, putative 0.0025 0.0085 0.8897
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0095 0.0544
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0025 0.0085 0.0085
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0025 0.0085 0.0212
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0025 0.0085 0.3561
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0073 0.0183
Mycobacterium leprae Probable ionic transporter integral membrane protein ChaA 0.0061 0.0234 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0015 0.0015
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.0073 0.5
Echinococcus multilocularis importin subunit beta 1 0.0034 0.0122 0.0122
Schistosoma mansoni ran 0.0025 0.0085 0.0085
Mycobacterium tuberculosis Probable ionic transporter integral membrane protein ChaA 0.0061 0.0234 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.0073 0.3109
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0012 0.007
Schistosoma mansoni hypothetical protein 0.0061 0.0234 0.0234
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.0234 0.1341
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0025 0.0085 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.3 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.009 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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