Detailed information for compound 450426

Basic information

Technical information
  • TDR Targets ID: 450426
  • Name: benzimidazolo[1,2-a]quinoline-2-carboximidami de hydrochloride
  • MW: 296.754 | Formula: C16H13ClN4
  • H donors: 1 H acceptors: 1 LogP: 4.29 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)c1ccc2c(c1)n1c(cc2)nc2c1cccc2.Cl
  • InChi: 1S/C16H12N4.ClH/c17-16(18)11-6-5-10-7-8-15-19-12-3-1-2-4-13(12)20(15)14(10)9-11;/h1-9H,(H3,17,18);1H
  • InChiKey: OFHMDQLBLZCBIL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • benzimidazolo[1,2-a]quinoline-2-carboxamidine hydrochloride
  • 2-benzimidazolo[1,2-a]quinolinecarboxamidine hydrochloride
  • quinolino[1,2-a]benzimidazole-2-carboximidamide hydrochloride
  • quinolino[1,2-a]benzimidazole-2-carboxamidine hydrochloride
  • 2-quinolino[1,2-a]benzimidazolecarboxamidine hydrochloride

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
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0039 0.1096 0.698
Trypanosoma brucei cdc2-related kinase 3 0.0043 0.1237 0.4468
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0304 1 1
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0089 0.2769 0.2703
Loa Loa (eye worm) hypothetical protein 0.0147 0.4736 0.4688
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0043 0.1237 0.1141
Loa Loa (eye worm) hypothetical protein 0.0028 0.0731 0.0647
Schistosoma mansoni serine/threonine protein kinase 0.0043 0.1237 0.1158
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0089 0.2769 1
Entamoeba histolytica recQ family DNA helicase 0.0009 0.009 0.0045
Echinococcus granulosus cyclin dependent kinase 1 0.0043 0.1237 0.1141
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.0578 0.1821
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0731 0.4893
Schistosoma mansoni tyrosine kinase 0.0117 0.3705 0.3648
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0109 0.0019
Loa Loa (eye worm) hypothetical protein 0.001 0.0109 0.0019
Entamoeba histolytica hypothetical protein 0.0089 0.2769 1
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0043 0.1237 0.8756
Brugia malayi Protein kinase domain containing protein 0.0043 0.1237 0.1358
Brugia malayi Protein kinase domain containing protein 0.0142 0.4555 0.5351
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0731 0.264
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0731 0.0629
Plasmodium falciparum importin beta, putative 0.0028 0.0731 0.3344
Entamoeba histolytica protein kinase domain containing protein 0.0048 0.14 0.4914
Onchocerca volvulus 0.0048 0.14 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0048 0.14 0.1322
Trypanosoma cruzi cdc2-related kinase 3 0.0043 0.1237 0.4282
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0109 0.0019
Plasmodium vivax protein kinase Crk2 0.0043 0.1237 0.8767
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0018 0.0395 0.0344
Echinococcus granulosus cyclin dependent kinase 0.0043 0.1237 0.1141
Schistosoma mansoni tyrosine kinase 0.0115 0.3635 0.3578
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0109 0.0019
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0048 0.14 0.1322
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1293 0.1214
Echinococcus multilocularis epidermal growth factor receptor 0.0117 0.3705 0.3636
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0109 0.0019
Giardia lamblia Kinase, CMGC CDK 0.0043 0.1237 0.8378
Loa Loa (eye worm) hypothetical protein 0.001 0.0109 0.0019
Plasmodium falciparum protein kinase 5 0.0043 0.1237 0.8378
Echinococcus multilocularis cyclin dependent kinase 0.0043 0.1237 0.1141
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0048 0.14 0.3832
Brugia malayi intracellular kinase 0.0048 0.14 0.1554
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0109 0.0019
Echinococcus granulosus importin subunit beta 1 0.0028 0.0731 0.0629
Schistosoma mansoni hypothetical protein 0.0304 1 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0109 0.0019
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0018 0.0395 0.0289
Trypanosoma brucei protein kinase, putative 0.0048 0.14 0.5057
Schistosoma mansoni nuclear hormone receptor 0.001 0.0109 0.0019
Echinococcus granulosus dual specificity 0.0089 0.2769 0.2689
Echinococcus multilocularis muscleblind protein 1 0.0147 0.4736 0.4678
Loa Loa (eye worm) hypothetical protein 0.001 0.0109 0.0019
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0109 0.0019
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0109 0.0019
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0109 0.0019
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1293 0.1214
Entamoeba histolytica protein kinase domain containing protein 0.0048 0.14 0.4914
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1293 0.1197
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.003 0.0792 0.5398
Echinococcus multilocularis protein kinase shaggy 0.0048 0.14 0.1306
Plasmodium vivax importin-beta 2, putative 0.0028 0.0731 0.4939
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0018 0.0395 0.2327
Schistosoma mansoni importin beta-1 0.0028 0.0731 0.0647
Brugia malayi cell division control protein 2 homolog 0.0043 0.1237 0.1358
Schistosoma mansoni tyrosine kinase 0.0117 0.3705 0.3648
Trypanosoma cruzi cdc2-related kinase 1 0.0043 0.1237 0.4282
Echinococcus granulosus insulin receptor 0.0257 0.8418 0.84
Schistosoma mansoni serine/threonine protein kinase 0.0089 0.2769 0.2703
Echinococcus granulosus muscleblind protein 0.0147 0.4736 0.4678
Echinococcus multilocularis 0.0034 0.0902 0.0802
Entamoeba histolytica protein kinase, putative 0.0089 0.2769 1
Schistosoma mansoni tyrosine kinase 0.0115 0.3635 0.3578
Schistosoma mansoni thyroid hormone receptor 0.001 0.0109 0.0019
Brugia malayi photoreceptor-specific nuclear receptor 0.0243 0.7952 0.9439
Echinococcus multilocularis bloom syndrome protein 0.0045 0.1279 0.1184
Loa Loa (eye worm) hypothetical protein 0.001 0.0109 0.0019
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0018 0.0395 0.2327
Loa Loa (eye worm) TK/EGFR protein kinase 0.0117 0.3705 0.3648
Echinococcus multilocularis cyclin dependent kinase 1 0.0043 0.1237 0.1141
Trypanosoma cruzi cdc2-related kinase 3 0.0043 0.1237 0.4282
Echinococcus multilocularis cyclin dependent kinase 1 0.0043 0.1237 0.1141
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0109 0.0019
Loa Loa (eye worm) hypothetical protein 0.0018 0.0395 0.0308
Brugia malayi Muscleblind-like protein 0.0147 0.4736 0.5569
Brugia malayi RNA, U transporter 1 0.0081 0.2497 0.2875
Plasmodium vivax glycogen synthase kinase 3, putative 0.0048 0.14 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0257 0.8418 0.84
Brugia malayi Bloom's syndrome protein homolog 0.0045 0.1279 0.1409
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0048 0.14 0.1306
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0578 0.0329
Echinococcus granulosus epidermal growth factor receptor 0.0117 0.3705 0.3636
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0109 0.0019
Echinococcus granulosus epidermal growth factor receptor 0.0117 0.3705 0.3636
Echinococcus multilocularis epidermal growth factor receptor 0.0117 0.3705 0.3636
Echinococcus multilocularis insulin receptor 0.0257 0.8418 0.84
Trypanosoma brucei cdc2-related kinase 1 0.0043 0.1237 0.4468
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0109 0.0019
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1293 0.1197
Giardia lamblia Kinase, CMGC CDK 0.0043 0.1237 0.8378
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1293 0.1425
Schistosoma mansoni DNA helicase recq1 0.0018 0.0395 0.0308
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0048 0.14 0.1306
Loa Loa (eye worm) hypothetical protein 0.001 0.0109 0.0019
Trichomonas vaginalis CMGC family protein kinase 0.0048 0.14 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1293 0.1197
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.003 0.0779 0.5263
Entamoeba histolytica recQ family helicase, putative 0.0024 0.0578 0.1858
Entamoeba histolytica protein kinase domain containing protein 0.0089 0.2769 1
Schistosoma mansoni tyrosine kinase 0.0115 0.3635 0.3578
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0043 0.1237 0.1158
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0109 0.0019
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0043 0.1237 0.3097
Trichomonas vaginalis DNA helicase recq, putative 0.0045 0.1279 0.8581
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0109 0.0019
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0048 0.14 0.1322
Schistosoma mansoni serine/threonine protein kinase 0.0043 0.1237 0.1158
Loa Loa (eye worm) hypothetical protein 0.0042 0.1191 0.1111
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0109 0.0019
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1293 0.1214
Trichomonas vaginalis CMGC family protein kinase 0.0043 0.1237 0.8083
Entamoeba histolytica hypothetical protein 0.0023 0.055 0.1754
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.0578 0.0126
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0109 0.0019
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.055 0.1717
Schistosoma mansoni DNA helicase recq5 0.0018 0.0395 0.0308
Schistosoma mansoni blooms syndrome DNA helicase 0.0035 0.0962 0.088
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0018 0.0395 0.0289
Schistosoma mansoni tyrosine kinase 0.0117 0.3705 0.3648
Trichomonas vaginalis CMGC family protein kinase 0.0043 0.1237 0.8083
Schistosoma mansoni tyrosine kinase 0.0257 0.8418 0.8403
Loa Loa (eye worm) hypothetical protein 0.0088 0.2723 0.2657
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0043 0.1237 0.1158
Loa Loa (eye worm) TK/INSR protein kinase 0.0257 0.8418 0.8403
Brugia malayi Protein kinase domain containing protein 0.0257 0.8418 1
Echinococcus multilocularis dual specificity 0.0089 0.2769 0.2689
Giardia lamblia Kinase, CMGC GSK 0.0048 0.14 1
Brugia malayi Protein kinase domain containing protein 0.0089 0.2769 0.3201
Entamoeba histolytica cell division protein kinase 2, putative 0.0043 0.1237 0.4308
Loa Loa (eye worm) RecQ helicase 0.0045 0.1279 0.12
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1293 0.1197
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0089 0.2769 1
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0048 0.14 1
Trichomonas vaginalis CMGC family protein kinase 0.0043 0.1237 0.8083
Echinococcus granulosus protein kinase shaggy 0.0048 0.14 0.1306
Entamoeba histolytica protein kinase, putative 0.0089 0.2769 1
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0048 0.14 0.4891
Echinococcus granulosus bloom syndrome protein 0.0045 0.1279 0.1184
Schistosoma mansoni tyrosine kinase 0.0257 0.8418 0.8403
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0109 0.0019
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0043 0.1237 0.3097
Loa Loa (eye worm) hypothetical protein 0.0136 0.4353 0.4302
Trichomonas vaginalis DNA helicase recq1, putative 0.0045 0.1279 0.8581
Echinococcus granulosus cyclin dependent kinase 5 0.0043 0.1237 0.1141
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0018 0.0395 0.0289
Loa Loa (eye worm) hypothetical protein 0.0243 0.7952 0.7933
Brugia malayi Importin beta-1 subunit 0.0028 0.0731 0.0749
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0018 0.0395 0.0308
Entamoeba histolytica protein kinase, putative 0.0048 0.14 0.4914
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0089 0.2769 1
Trypanosoma cruzi cdc2-related kinase 1 0.0043 0.1237 0.4282
Schistosoma mansoni coup transcription factor 0.001 0.0109 0.0019
Brugia malayi Furin-like cysteine rich region family protein 0.0117 0.3705 0.4329
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0117 0.3705 0.3636
Echinococcus multilocularis muscleblind protein 0.0147 0.4736 0.4678
Schistosoma mansoni thyroid hormone receptor 0.001 0.0109 0.0019
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1293 0.1214
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0043 0.1237 0.1158
Treponema pallidum ATP-dependent DNA helicase 0.0009 0.009 0.5
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.0578 0.2087
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0089 0.2769 1
Plasmodium falciparum glycogen synthase kinase 3 0.0048 0.14 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0018 0.0395 0.0344
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0731 0.264
Loa Loa (eye worm) hypothetical protein 0.0147 0.4736 0.4688
Echinococcus multilocularis cyclin dependent kinase 5 0.0043 0.1237 0.1141
Loa Loa (eye worm) hypothetical protein 0.001 0.0109 0.0019
Echinococcus multilocularis snurportin 1 0.0304 1 1
Giardia lamblia Kinase, CMGC GSK 0.0048 0.14 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0109 0.0019
Entamoeba histolytica cell division protein kinase 2, putative 0.0043 0.1237 0.4308
Loa Loa (eye worm) hypothetical protein 0.0088 0.2723 0.2657
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0018 0.0395 0.0289
Trichomonas vaginalis CMGC family protein kinase 0.0048 0.14 1
Loa Loa (eye worm) hypothetical protein 0.014 0.4485 0.4435
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0257 0.8418 0.84

Activities

Activity type Activity value Assay description Source Reference
deltaTm (binding) = 5.2 degrees C Binding affinity to calf thymus DNA by thermal melting temperature assay ChEMBL. 17935309
IC50 (functional) = 2.9 uM Antitumor activity against human SW620 cells after 72 hrs by MTT assay ChEMBL. 17935309
IC50 (functional) = 2.9 uM Antitumor activity against human SW620 cells after 72 hrs by MTT assay ChEMBL. 17935309
IC50 (functional) = 4 uM Antitumor activity against human Hep2 cells after 72 hrs by MTT assay ChEMBL. 17935309
IC50 (functional) = 4 uM Antitumor activity against human MCF7 cells after 72 hrs by MTT assay ChEMBL. 17935309
IC50 (functional) = 4 uM Antitumor activity against human Hep2 cells after 72 hrs by MTT assay ChEMBL. 17935309
IC50 (functional) = 4 uM Antitumor activity against human MCF7 cells after 72 hrs by MTT assay ChEMBL. 17935309
IC50 (functional) = 4.5 uM Antitumor activity against human MiaPaCa2 cells after 72 hrs by MTT assay ChEMBL. 17935309
IC50 (functional) = 4.5 uM Antitumor activity against human MiaPaCa2 cells after 72 hrs by MTT assay ChEMBL. 17935309
IC50 (functional) = 4.9 uM Antitumor activity against human HeLa cells after 72 hrs by MTT assay ChEMBL. 17935309
IC50 (functional) = 4.9 uM Antitumor activity against human HeLa cells after 72 hrs by MTT assay ChEMBL. 17935309
IC50 (functional) = 6.7 uM Antiproliferative activity against human WI39 fibroblast after 72 hrs by MTT assay ChEMBL. 17935309

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 17935309

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.