Detailed information for compound 330256

Basic information

Technical information
  • TDR Targets ID: 330256
  • Name: N-(cyclopropylmethyl)-N-[[7-fluoro-2-methyl-4 -(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimi dazol-1-yl]methyl]propan-1-amine
  • MW: 432.576 | Formula: C27H33FN4
  • H donors: 0 H acceptors: 1 LogP: 7.11 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN(Cc1c(C)nc2n1c1cc(F)ccc1n2c1c(C)cc(cc1C)C)CC1CC1
  • InChi: 1S/C27H33FN4/c1-6-11-30(15-21-7-8-21)16-25-20(5)29-27-31(25)24-14-22(28)9-10-23(24)32(27)26-18(3)12-17(2)13-19(26)4/h9-10,12-14,21H,6-8,11,15-16H2,1-5H3
  • InChiKey: ZWETYKGFUQLXAP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(cyclopropylmethyl)-N-[[7-fluoro-2-methyl-4-(2,4,6-trimethylphenyl)-1-imidazo[1,2-a]benzimidazolyl]methyl]-1-propanamine
  • cyclopropylmethyl-[(7-fluoro-4-mesityl-2-methyl-imidazo[1,2-a]benzimidazol-1-yl)methyl]-propyl-amine
  • N-(cyclopropylmethyl)-N-[[7-fluoro-2-methyl-4-(2,4,6-trimethylphenyl)imidazo[2,3-b]benzimidazol-1-yl]methyl]propan-1-amine
  • N-(cyclopropylmethyl)-N-[[7-fluoro-2-methyl-4-(2,4,6-trimethylphenyl)-1-imidazo[2,3-b]benzimidazolyl]methyl]propan-1-amine
  • cyclopropylmethyl-[[7-fluoro-2-methyl-4-(2,4,6-trimethylphenyl)imidazo[2,3-b]benzimidazol-1-yl]methyl]-propyl-amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens corticotropin releasing hormone receptor 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum IPR001879,Hormone receptor, extracellular,domain-containing Get druggable targets OG5_130760 All targets in OG5_130760
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative Get druggable targets OG5_130760 All targets in OG5_130760
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130760 All targets in OG5_130760
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c corticotropin releasing hormone receptor 1 444 aa 445 aa 25.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0252 0.5513 0.5445
Schistosoma mansoni jumonji/arid domain-containing protein 0.0057 0.0716 0.1689
Giardia lamblia Kinase, CMGC MAPK 0.005 0.0527 0.5
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0116 0.216 0.204
Echinococcus multilocularis survival motor neuron protein 1 0.0231 0.4989 1
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.5513 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0116 0.216 0.4128
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0762 0.1797
Brugia malayi jmjC domain containing protein 0.0057 0.0716 0.0574
Loa Loa (eye worm) hypothetical protein 0.0134 0.2594 0.2481
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.02 0.4239 0.8443
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0762 0.1226
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0245 0.5351 0.528
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.3597 0.6412
Schistosoma mansoni jumonji domain containing protein 0.0057 0.0716 0.1689
Loa Loa (eye worm) jmjC domain-containing protein 0.0057 0.0716 0.0574
Schistosoma mansoni survival motor neuron protein 0.0047 0.0461 0.1088
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0171 0.5
Brugia malayi Melibiase family protein 0.0134 0.2594 0.2481
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0116 0.216 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0762 0.3043
Brugia malayi Cytochrome P450 family protein 0.0036 0.0189 0.0039
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.5513 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.322 0.6329
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.02 0.4239 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0171 0.0021
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.5513 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0762 0.3043
Echinococcus granulosus survival motor neuron protein 1 0.0231 0.4989 1
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.5513 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0527 1
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.5513 1
Onchocerca volvulus 0.0434 1 1
Toxoplasma gondii melibiase subfamily protein 0.02 0.4239 1
Onchocerca volvulus 0.0092 0.1568 0.116
Trypanosoma brucei protein kinase, putative 0.005 0.0527 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.0527 0.1874
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0171 0.0546
Brugia malayi follicle stimulating hormone receptor 0.0227 0.4896 0.4818
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0116 0.216 0.5095
Schistosoma mansoni hypothetical protein 0.0041 0.0316 0.0745
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0116 0.216 1
Brugia malayi jmjC domain containing protein 0.0057 0.0716 0.0574
Schistosoma mansoni jumonji/arid domain-containing protein 0.0057 0.0716 0.1689
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0252 0.5513 0.5445
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.322 0.6329
Loa Loa (eye worm) cytochrome P450 family protein 0.0036 0.0189 0.0039
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0527 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0134 0.2594 0.6119
Loa Loa (eye worm) hypothetical protein 0.0434 1 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.02 0.4239 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.0527 0.0739
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.3377 0.6002
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0785 0.0645
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.0527 0.0739
Echinococcus granulosus lysosomal alpha glucosidase 0.0159 0.322 0.6329
Schistosoma mansoni alpha glucosidase 0.0035 0.0171 0.0403
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0105 0.1881 0.1757
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.0527 0.1874
Echinococcus multilocularis Glycoside hydrolase, family 27 0.02 0.4239 0.8443
Loa Loa (eye worm) hypothetical protein 0.0245 0.5351 0.528
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0116 0.216 1
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0527 0.0666
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.3597 0.6412
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0762 0.1797
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0116 0.216 1
Schistosoma mansoni lozenge 0.0054 0.0643 0.1517
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.3377 0.6002
Brugia malayi Glycosyl hydrolases family 31 protein 0.0159 0.322 0.3117
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0762 0.3043
Onchocerca volvulus Glucosylceramidase homolog 0.0165 0.3377 0.3057
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.3377 0.6002
Echinococcus granulosus lysine specific demethylase 5A 0.0057 0.0716 0.1131
Brugia malayi hypothetical protein 0.0231 0.4989 0.4913
Schistosoma mansoni hypothetical protein 0.0047 0.0461 0.1088
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.0527 0.1243
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0527 0.0666
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.0527 1
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.02 0.4239 0.8443
Schistosoma mansoni serine/threonine protein kinase 0.005 0.0527 0.1243
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0762 0.1797
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0134 0.2594 0.6119
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0057 0.0716 0.1131
Loa Loa (eye worm) runx1 0.0054 0.0643 0.0501
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0134 0.2594 0.4536
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0762 0.3043
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0057 0.0716 0.1131
Schistosoma mansoni alpha-glucosidase 0.0137 0.2674 0.6309
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0171 0.0021
Loa Loa (eye worm) hypothetical protein 0.0041 0.0316 0.0168
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.3377 0.6002
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.3377 0.6002
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0227 0.4896 0.4818
Loa Loa (eye worm) hypothetical protein 0.0434 1 1
Trypanosoma brucei glucosidase, putative 0.0035 0.0171 0.0546
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.0527 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.0527 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0461 0.0316
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.0527 0.0739
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0171 0.0546
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0171 0.0403
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0171 0.0102
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.3377 0.6002
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0204 0.4336 0.8645
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0171 0.5
Brugia malayi MAP kinase sur-1 0.005 0.0527 0.0382
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0785 0.0645
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0316 0.0168
Echinococcus multilocularis lysine specific demethylase 5A 0.0057 0.0716 0.1131
Echinococcus granulosus mitogen activated protein kinase 0.005 0.0527 0.0739
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.3377 0.6002
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0762 0.1226
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.02 0.4239 1
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0527 0.0666
Schistosoma mansoni alpha-glucosidase 0.0137 0.2674 0.6309
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0527 0.0666
Trichomonas vaginalis glucosylceramidase, putative 0.0252 0.5513 1
Loa Loa (eye worm) hypothetical protein 0.0231 0.4989 0.4913
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.02 0.4239 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0204 0.4336 0.8645
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0159 0.322 0.3117
Echinococcus multilocularis Protein lozenge 0.0054 0.0643 0.0981
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.0527 0.0382
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0116 0.216 0.4128

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 59 nM Binding affinity for human corticotropin releasing factor receptor 1 ChEMBL. 15982881
Ki (binding) = 59 nM Binding affinity for human corticotropin releasing factor receptor 1 ChEMBL. 15982881

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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