Detailed information for compound 516120

Basic information

Technical information
  • TDR Targets ID: 516120
  • Name: 4-[2-(4-carbamimidoylphenyl)-7-methylimidazo[ 1,2-a]pyridin-6-yl]benzenecarboximidamide
  • MW: 368.434 | Formula: C22H20N6
  • H donors: 2 H acceptors: 1 LogP: 3.34 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc2nc(cn2cc1c1ccc(cc1)C(=N)N)c1ccc(cc1)C(=N)N
  • InChi: 1S/C22H20N6/c1-13-10-20-27-19(15-4-8-17(9-5-15)22(25)26)12-28(20)11-18(13)14-2-6-16(7-3-14)21(23)24/h2-12H,1H3,(H3,23,24)(H3,25,26)
  • InChiKey: YXUQWOWGTLVASX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[2-(4-carbamimidoylphenyl)-7-methyl-imidazo[1,2-a]pyridin-6-yl]benzamidine
  • 4-[2-(4-carbamimidoylphenyl)-7-methyl-6-imidazo[1,2-a]pyridinyl]benzamidine
  • 4-[2-(4-carbamimidoylphenyl)-7-methyl-imidazo[1,2-a]pyridin-6-yl]benzenecarboximidamide
  • 4-[2-(4-amidinophenyl)-7-methyl-imidazo[1,2-a]pyridin-6-yl]benzamidine

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
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.004 0.0296 0.5172
Leishmania major hypothetical protein, unknown function 0.0161 0.1577 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0296 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0057 0.0474 1
Brugia malayi Importin beta-1 subunit 0.0022 0.0104 0.0662
Echinococcus granulosus GTP binding nuclear protein Ran 0.0016 0.0042 0.0027
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0296 1
Echinococcus granulosus importin subunit beta 1 0.0022 0.0104 0.009
Brugia malayi Thioredoxin reductase 0.0022 0.0106 0.0673
Trypanosoma cruzi importin beta-1 subunit, putative 0.0018 0.0059 0.2008
Loa Loa (eye worm) hypothetical protein 0.0021 0.0093 0.0388
Echinococcus granulosus dna polymerase eta 0.004 0.0296 0.0282
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0057 0.0474 1
Schistosoma mansoni hypothetical protein 0.0238 0.2405 0.2405
Schistosoma mansoni ngng-dimethylarginine dimethylaminohydrolase 0.0214083 0.5 0.5
Echinococcus granulosus polycomb protein SCMH1 0.0019 0.0066 0.0051
Echinococcus multilocularis dna polymerase eta 0.004 0.0296 0.0282
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.004 0.0296 0.0282
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0296 1
Echinococcus multilocularis importin subunit beta 1 0.0022 0.0104 0.009
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0051 0.0413 0.8342
Brugia malayi ImpB/MucB/SamB family protein 0.004 0.0296 0.1878
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0051 0.0413 0.8342
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0296 1
Trypanosoma cruzi trypanothione reductase, putative 0.0022 0.0106 0.3581
Schistosoma mansoni importin beta-1 0.0022 0.0104 0.0104
Echinococcus multilocularis polycomb protein SCMH1 0.0019 0.0066 0.0051
Loa Loa (eye worm) thioredoxin reductase 0.0022 0.0106 0.0441
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0296 1
Brugia malayi RNA, U transporter 1 0.0063 0.0543 0.3442
Echinococcus multilocularis ng dimethylarginine dimethylaminohydrolase 0.0214083 0.5 0.5
Toxoplasma gondii HEAT repeat-containing protein 0.0022 0.0104 0.9845
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0296 1
Brugia malayi ImpB/MucB/SamB family protein 0.004 0.0296 0.1878
Leishmania major DNA polymerase eta, putative 0.004 0.0296 0.1878
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0296 1
Trypanosoma brucei DNA polymerase eta, putative 0.004 0.0296 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0019 0.0066 0.0051
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0016 0.0042 0.0173
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0238 0.2405 1
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0296 1
Loa Loa (eye worm) hypothetical protein 0.0214083 0.5 0.5
Leishmania major GTP-binding protein, putative 0.0016 0.0042 0.0264
Brugia malayi hypothetical protein 0.0014 0.0015 0.0094
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0296 1
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0296 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0016 0.0042 0.0027
Loa Loa (eye worm) hypothetical protein 0.0022 0.0104 0.0434
Mycobacterium tuberculosis Probable oxidoreductase 0.0057 0.0474 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0074 0.0651 0.0637
Schistosoma mansoni hypothetical protein 0.0951 1 1
Entamoeba histolytica Ran family GTPase 0.0016 0.0042 0.0956
Mycobacterium tuberculosis Probable dehydrogenase 0.0051 0.0413 0.8342
Schistosoma mansoni transcription factor LCR-F1 0.0014 0.0015 0.0015
Trypanosoma brucei trypanothione reductase 0.0022 0.0106 0.3581
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0051 0.0413 0.8342
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0016 0.0042 0.3928
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0016 0.0042 0.1407
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0016 0.0042 0.1407
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0057 0.0474 1
Entamoeba histolytica hypothetical protein 0.0018 0.0059 0.1589
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0016 0.0042 0.3928
Trypanosoma brucei unspecified product 0.0028 0.0163 0.55
Brugia malayi mbt repeat family protein 0.0019 0.0066 0.0417
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.0163 0.55
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0296 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0296 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.004 0.0296 0.0296
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0074 0.0651 0.0637
Loa Loa (eye worm) hypothetical protein 0.0161 0.1577 0.6557
Echinococcus multilocularis thioredoxin glutathione reductase 0.0022 0.0106 0.0091
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.004 0.0296 0.0282
Leishmania major trypanothione reductase 0.0022 0.0106 0.0673
Giardia lamblia DINP protein human, muc B family 0.004 0.0296 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0016 0.0042 0.1407
Loa Loa (eye worm) MBCTL1 0.0021 0.0093 0.0388
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0016 0.0042 0.1407
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.004 0.0296 1
Schistosoma mansoni hypothetical protein 0.0951 1 1
Leishmania major hypothetical protein, unknown function 0.0214083 0.5 0.5
Schistosoma mansoni ngng-dimethylarginine dimethylaminohydrolase 0.0161 0.1577 0.1577
Brugia malayi glutathione reductase 0.0022 0.0106 0.0673
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.0163 0.55
Echinococcus granulosus snurportin 1 0.0238 0.2405 0.2393
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.004 0.0296 0.1232
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0021 0.0093 0.0079
Echinococcus multilocularis snurportin 1 0.0238 0.2405 0.2393
Plasmodium falciparum importin beta, putative 0.0022 0.0104 0.9845
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.004 0.0296 0.0296
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0016 0.0042 0.3928
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0296 1
Echinococcus multilocularis geminin 0.0951 1 1
Schistosoma mansoni ngng-dimethylarginine dimethylaminohydrolase 0.0161 0.1577 0.1577
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.0163 0.55
Schistosoma mansoni ran 0.0016 0.0042 0.0042
Leishmania major importin beta-1 subunit, putative 0.0018 0.0059 0.0377
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0296 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0021 0.0093 0.0079
Loa Loa (eye worm) mbt repeat family protein 0.0019 0.0066 0.0273
Echinococcus multilocularis histone acetyltransferase MYST2 0.0021 0.0093 0.0079
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0018 0.0059 0.07
Trypanosoma brucei unspecified product 0.004 0.0296 1
Plasmodium vivax importin-beta 2, putative 0.0022 0.0104 0.9845
Echinococcus granulosus SAM and MBT domain containing protein 0.0019 0.0066 0.0051
Echinococcus granulosus dna polymerase kappa 0.004 0.0296 0.0282
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0016 0.0042 0.0264
Trichomonas vaginalis DNA polymerase eta, putative 0.004 0.0296 1
Toxoplasma gondii thioredoxin reductase 0.0022 0.0106 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0066 0.0273
Trichomonas vaginalis importin beta-1, putative 0.0018 0.0059 0.07
Schistosoma mansoni myelin transcription factor 1 myt1 0.0021 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.004 0.0296 0.1232
Schistosoma mansoni hypothetical protein 0.0114 0.1076 0.1076
Onchocerca volvulus 0.0161 0.1577 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0022 0.0106 0.0091
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0296 1
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0296 1
Schistosoma mansoni DNA polymerase eta 0.004 0.0296 0.0296
Schistosoma mansoni ran 0.0016 0.0042 0.0042
Onchocerca volvulus 0.0214083 0.5 0.5
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.004 0.0296 0.1878
Leishmania major hypothetical protein, unknown function 0.0161 0.1577 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0051 0.0413 0.8342
Entamoeba histolytica deoxycytidyl transferase, putative 0.004 0.0296 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0022 0.0104 0.3526
Leishmania major hypothetical protein, unknown function 0.0214083 0.5 0.5
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0021 0.0093 0.0591
Mycobacterium tuberculosis Conserved hypothetical protein 0.004 0.0296 0.5172
Leishmania major DNA polymerase kappa, putative 0.004 0.0296 0.1878
Schistosoma mansoni hypothetical protein 0.0014 0.0015 0.0015
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0296 1
Schistosoma mansoni ngng-dimethylarginine dimethylaminohydrolase 0.0214083 0.5 0.5
Plasmodium vivax glutathione reductase, putative 0.0022 0.0106 1
Mycobacterium tuberculosis Probable reductase 0.0051 0.0413 0.8342
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0296 1
Loa Loa (eye worm) glutathione reductase 0.0022 0.0106 0.0441
Echinococcus granulosus ng dimethylarginine dimethylaminohydrolase 0.0161 0.1577 0.1564
Echinococcus granulosus ng dimethylarginine dimethylaminohydrolase 0.0214083 0.5 0.5
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0021 0.0093 0.0079
Echinococcus multilocularis dna polymerase kappa 0.004 0.0296 0.0282
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0019 0.0066 0.0066
Echinococcus multilocularis ng dimethylarginine dimethylaminohydrolase 0.0161 0.1577 0.1564
Brugia malayi NG,NG-dimethylarginine dimethylaminohydrolase 1, putative 0.0161 0.1577 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0296 1
Schistosoma mansoni sex comb on midleg homolog 0.0019 0.0066 0.0066
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0018 0.0059 0.07
Plasmodium falciparum glutathione reductase 0.0022 0.0106 1
Trypanosoma cruzi DNA polymerase eta, putative 0.004 0.0296 1
Plasmodium vivax thioredoxin reductase, putative 0.0022 0.0106 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0022 0.0104 0.3526
Plasmodium falciparum thioredoxin reductase 0.0022 0.0106 1
Trypanosoma brucei unspecified product 0.0028 0.0163 0.55
Schistosoma mansoni sex comb on midleg homolog 0.0019 0.0066 0.0066
Brugia malayi mbt repeat family protein 0.0019 0.0066 0.0417
Brugia malayi NG,NG-dimethylarginine dimethylaminohydrolase 1, putative 0.0214083 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
deltaTm (binding) > 28 degrees C Binding affinity to poly(dA-dT) DNA (unknown origin) ChEMBL. 17976993
IC50 (functional) = 13 nM Antiprotozoan activity against Trypanosoma brucei rhodesiense STIB900 ChEMBL. 17976993
IC50 (functional) = 13 nM Antiprotozoan activity against Trypanosoma brucei rhodesiense STIB900 ChEMBL. 17976993
IC50 (functional) = 27 nM Antiprotozoan activity against Plasmodium falciparum K1 strain ChEMBL. 17976993
IC50 (functional) = 27 nM Antiprotozoan activity against Plasmodium falciparum K1 strain ChEMBL. 17976993
IC50 (ADMET) = 6800 uM Cytotoxicity against rat L6 cells ChEMBL. 17976993
Survival (functional) > 37.25 day Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 infected mouse model assessed as survival at 5 mg/kg, ip after 4 days ChEMBL. 17976993
Survival (functional) > 37.25 day Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 infected mouse model assessed as survival at 5 mg/kg, ip after 4 days ChEMBL. 17976993

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Trypanosoma brucei gambiense 17976993
Plasmodium falciparum ChEMBL23 17976993

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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