Detailed information for compound 1611128

Basic information

Technical information
  • TDR Targets ID: 1611128
  • Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoli n-1-yl)-N-(propan-2-ylideneamino)acetamide
  • MW: 305.372 | Formula: C16H23N3O3
  • H donors: 2 H acceptors: 1 LogP: 0.75 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2C(NCCc2cc1OC)CC(=O)NN=C(C)C
  • InChi: 1S/C16H23N3O3/c1-10(2)18-19-16(20)9-13-12-8-15(22-4)14(21-3)7-11(12)5-6-17-13/h7-8,13,17H,5-6,9H2,1-4H3,(H,19,20)
  • InChiKey: JDJNILZVYKNYDI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-N-(isopropylideneamino)acetamide
  • 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-N-(propan-2-ylideneamino)ethanamide
  • 2-(6,7-Dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)-N'-(1-methylethylidene)acetohydrazide
  • AIDS-138338
  • AIDS138338
  • NSC645015
  • NCI60_015289

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
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0062 0.0082 0.0097
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0147 0.0287 0.0936
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.0096 0.0096
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0056 0.0057
Loa Loa (eye worm) hypothetical protein 0.0039 0.0027 0.0027
Echinococcus granulosus mothers against decapentaplegic 5 0.0033 0.0014 0.0014
Echinococcus multilocularis tar DNA binding protein 0.0067 0.0096 0.0113
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0062 0.0082 0.0083
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0184 0.0378 0.0378
Brugia malayi Smad1 0.0033 0.0014 0.0014
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0062 0.0082 0.0082
Schistosoma mansoni microtubule-associated protein tau 0.3538 0.8474 0.8474
Trichomonas vaginalis PIKK family atypical protein kinase 0.0099 0.0173 0.4316
Loa Loa (eye worm) MH2 domain-containing protein 0.049 0.1116 0.112
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0096 0.0096
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0184 0.0378 0.0379
Echinococcus granulosus microtubule associated protein 2 0.3538 0.8474 0.8505
Trichomonas vaginalis PIKK family atypical protein kinase 0.0099 0.0173 0.4316
Trichomonas vaginalis PIKK family atypical protein kinase 0.0137 0.0264 0.684
Loa Loa (eye worm) hypothetical protein 0.1229 0.29 0.291
Echinococcus granulosus Smad4 0.0033 0.0014 0.0014
Trichomonas vaginalis PIKK family atypical protein kinase 0.012 0.0222 0.5673
Loa Loa (eye worm) hypothetical protein 0.0038 0.0024 0.0024
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0184 0.0378 0.0446
Schistosoma mansoni protein kinase 0.417 1 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0033 0.0014 0.0014
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0035 0.0018 0.0018
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.1244 0.2936 0.2947
Schistosoma mansoni transcription factor LCR-F1 0.0146 0.0287 0.0287
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0184 0.0378 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0137 0.0264 0.684
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0096 0.0096
Brugia malayi RNA binding protein 0.0067 0.0096 0.0096
Brugia malayi MH2 domain containing protein 0.049 0.1116 0.1116
Loa Loa (eye worm) hypothetical protein 0.1229 0.29 0.291
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.1229 0.29 0.29
Trichomonas vaginalis PIKK family atypical protein kinase 0.0184 0.0378 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0109 0.0196 0.4963
Onchocerca volvulus 0.1229 0.29 1
Toxoplasma gondii target of rapamycin (TOR), putative 0.0137 0.0264 1
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.1244 0.2936 0.3465
Echinococcus granulosus tar DNA binding protein 0.0067 0.0096 0.0096
Trichomonas vaginalis PIKK family atypical protein kinase 0.0184 0.0378 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0056 0.0057
Loa Loa (eye worm) phosphatidylinositol 3 0.0062 0.0082 0.0083
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0184 0.0378 0.0378
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0035 0.0018 0.0018
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0062 0.0082 0.0225
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.1229 0.29 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0096 0.0096
Schistosoma mansoni serine/threonine protein kinase 0.1244 0.2936 0.2936
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.0096 0.0096
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0033 0.0014 0.0017
Loa Loa (eye worm) hypothetical protein 0.0101 0.0178 0.0178
Schistosoma mansoni protein kinase 0.2941 0.7034 0.7034
Loa Loa (eye worm) hypothetical protein 0.1229 0.29 0.291
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0147 0.0287 0.6934
Loa Loa (eye worm) TAR-binding protein 0.0067 0.0096 0.0096
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.1244 0.2936 0.2947
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.0287 0.7477
Loa Loa (eye worm) phosphatidylinositol 3 0.0184 0.0378 0.0379
Loa Loa (eye worm) MH2 domain-containing protein 0.0033 0.0014 0.0014
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0184 0.0378 0.125
Trichomonas vaginalis PIKK family atypical protein kinase 0.0099 0.0173 0.4327
Brugia malayi MH1 domain containing protein 0.0033 0.0014 0.0014
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0056 0.0056
Trichomonas vaginalis PIKK family atypical protein kinase 0.0062 0.0082 0.1803
Echinococcus multilocularis 0.2941 0.7034 0.83
Trichomonas vaginalis PIKK family atypical protein kinase 0.0062 0.0082 0.1803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0123 0.0232 0.594
Echinococcus granulosus smad 0.0033 0.0014 0.0014
Echinococcus multilocularis smad 0.0033 0.0014 0.0017
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0087 0.0144 0.0438
Schistosoma mansoni hypothetical protein 0.0146 0.0287 0.0287
Loa Loa (eye worm) RNA binding protein 0.0067 0.0096 0.0096
Trichomonas vaginalis PIKK family atypical protein kinase 0.011 0.0199 0.5037
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0062 0.0082 0.0082
Trichomonas vaginalis PIKK family atypical protein kinase 0.0184 0.0378 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0033 0.0014 0.0014
Entamoeba histolytica hypothetical protein 0.0146 0.0287 0.7465
Trichomonas vaginalis PIKK family atypical protein kinase 0.0062 0.0082 0.1803
Echinococcus multilocularis Smad4 0.0033 0.0014 0.0017
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.1244 0.2936 0.3465
Schistosoma mansoni rap gtpase-activating protein 0.1229 0.29 0.29
Schistosoma mansoni serine/threonine protein kinase 0.1244 0.2936 0.2936
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0184 0.0378 1
Loa Loa (eye worm) transcription factor SMAD2 0.049 0.1116 0.112
Trichomonas vaginalis PIKK family atypical protein kinase 0.0062 0.0082 0.1803
Trichomonas vaginalis PIKK family atypical protein kinase 0.011 0.0199 0.5037
Brugia malayi hypothetical protein 0.0146 0.0287 0.0287
Brugia malayi MH2 domain containing protein 0.0033 0.0014 0.0014
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0035 0.0018 0.0018
Trichomonas vaginalis PIKK family atypical protein kinase 0.0099 0.0173 0.4316
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0146 0.0287 0.0288
Echinococcus granulosus Vam6:Vps39 protein 0.1229 0.29 0.291
Loa Loa (eye worm) Smad1 0.0033 0.0014 0.0014
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.1244 0.2936 0.2947
Entamoeba histolytica hypothetical protein 0.0146 0.0287 0.7465
Brugia malayi MH2 domain containing protein 0.0033 0.0014 0.0014
Loa Loa (eye worm) STE/STE20/MSN protein kinase 0.2941 0.7034 0.7059
Schistosoma mansoni smad 0.0033 0.0014 0.0014
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.1229 0.29 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0184 0.0378 0.125
Schistosoma mansoni smad1 5 8 and 0.0033 0.0014 0.0014
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0056 0.0056
Brugia malayi TAR-binding protein 0.0067 0.0096 0.0096
Brugia malayi MH1 domain containing protein 0.0033 0.0014 0.0014
Schistosoma mansoni cellular tumor antigen P53 0.0101 0.0178 0.0178
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0096 0.0096
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0146 0.0287 0.0338
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0035 0.0018 0.0021
Echinococcus multilocularis microtubule associated protein 2 0.3538 0.8474 1
Entamoeba histolytica hypothetical protein 0.0146 0.0287 0.7465
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0062 0.0082 0.0225
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.0287 0.7477
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0184 0.0378 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0033 0.0014 0.0014
Schistosoma mansoni smad1 5 8 and 0.0033 0.0014 0.0014
Loa Loa (eye worm) STE/STE20/KHS protein kinase 0.1244 0.2936 0.2947
Loa Loa (eye worm) hypothetical protein 0.0035 0.0018 0.0018
Trichomonas vaginalis PIKK family atypical protein kinase 0.0062 0.0082 0.1803
Echinococcus granulosus GTPase activating Rap:RanGAP domain 3 0.1229 0.29 0.291
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.0287 0.7477
Trichomonas vaginalis PIKK family atypical protein kinase 0.011 0.0199 0.5037
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0184 0.0378 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0096 0.0096
Trichomonas vaginalis PIKK family atypical protein kinase 0.0099 0.0173 0.4327
Trypanosoma brucei Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.1229 0.29 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0137 0.0264 0.684
Echinococcus multilocularis GTPase activating Rap:RanGAP domain 3 0.1229 0.29 0.3422
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.0287 0.7477
Trypanosoma cruzi target of rapamycin kinase 3 0.0147 0.0287 0.0936
Trichomonas vaginalis PIKK family atypical protein kinase 0.0157 0.0313 0.8197
Brugia malayi Protein kinase domain containing protein 0.1244 0.2936 0.2936
Trichomonas vaginalis PIKK family atypical protein kinase 0.0099 0.0173 0.4327
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.0287 0.7477
Echinococcus granulosus tumor protein p63 0.0692 0.1603 0.1609
Trichomonas vaginalis PIKK family atypical protein kinase 0.0099 0.0173 0.4327
Echinococcus granulosus serine protein kinase ATM 0.0035 0.0018 0.0018
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0027 0.0266
Schistosoma mansoni hypothetical protein 0.1229 0.29 0.29
Trichomonas vaginalis PIKK family atypical protein kinase 0.0109 0.0196 0.4963
Brugia malayi Temporarily assigned gene name protein 59 0.1229 0.29 0.29
Trichomonas vaginalis PIKK family atypical protein kinase 0.0137 0.0264 0.684
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0039 0.0027 0.039
Schistosoma mansoni vam6/vps39 related 0.1229 0.29 0.29
Loa Loa (eye worm) hypothetical protein 0.4155 0.9964 1
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0018 0.0018
Echinococcus multilocularis serine protein kinase ATM 0.0035 0.0018 0.0021
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0062 0.0082 0.0225
Echinococcus multilocularis tumor protein p63 0.0692 0.1603 0.1892
Schistosoma mansoni smad1 5 8 and 0.0033 0.0014 0.0014
Onchocerca volvulus 0.0101 0.0178 0.0613
Echinococcus multilocularis mothers against decapentaplegic 5 0.0033 0.0014 0.0017
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0076 0.0118 0.0349
Giardia lamblia GTOR 0.0184 0.0378 0.5
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.1244 0.2936 0.3465
Echinococcus granulosus protein kinase 0.2941 0.7034 0.7059
Schistosoma mansoni Smad4 0.0033 0.0014 0.0014
Echinococcus granulosus serine:threonine protein kinase mig 15 0.4155 0.9964 1
Schistosoma mansoni hypothetical protein 0.0035 0.0018 0.0018
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0184 0.0378 0.125
Brugia malayi hypothetical protein 0.1229 0.29 0.29
Schistosoma mansoni fkbp-rapamycin associated protein 0.0035 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0035 0.0018 0.0018
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0184 0.0378 0.125
Schistosoma mansoni protein kinase 0.1244 0.2936 0.2936
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.1229 0.29 0.29
Trichomonas vaginalis PIKK family atypical protein kinase 0.0137 0.0264 0.684
Trichomonas vaginalis PIKK family atypical protein kinase 0.0137 0.0264 0.684
Entamoeba histolytica hypothetical protein 0.0146 0.0287 0.7465
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0035 0.0018 0.0018
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0062 0.0082 0.0225
Trichomonas vaginalis PIKK family atypical protein kinase 0.0137 0.0264 0.684
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0053 0.0976

Activities

Activity type Activity value Assay description Source 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 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 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 UO-31 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 HL-60(TB) Leukemia 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 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 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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