Detailed information for compound 735914

Basic information

Technical information
  • TDR Targets ID: 735914
  • Name: 3-[[4-(1H-benzimidazol-2-ylmethyl)phenyl]amin o]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
  • MW: 426.467 | Formula: C25H22N4O3
  • H donors: 2 H acceptors: 3 LogP: 3.83 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N1C(=O)CC(C1=O)Nc1ccc(cc1)Cc1nc2c([nH]1)cccc2
  • InChi: 1S/C25H22N4O3/c1-32-19-12-10-18(11-13-19)29-24(30)15-22(25(29)31)26-17-8-6-16(7-9-17)14-23-27-20-4-2-3-5-21(20)28-23/h2-13,22,26H,14-15H2,1H3,(H,27,28)
  • InChiKey: QWFAKRHXYUNBOX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[[4-(1H-benzimidazol-2-ylmethyl)phenyl]amino]-1-(4-methoxyphenyl)pyrrolidine-2,5-quinone
  • A3436/0145816

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
Brugia malayi GH02984p 0.0346 0.2977 0.2977
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.1123 1 1
Brugia malayi MAP kinase sur-1 0.0906 0.8042 0.8042
Loa Loa (eye worm) hypothetical protein 0.0047 0.0277 0.0198
Echinococcus granulosus GPCR family 2 0.0047 0.0277 0.017
Brugia malayi Calcitonin receptor-like protein seb-1 0.0148 0.1192 0.1192
Echinococcus granulosus mitogen activated protein kinase 0.0906 0.8042 0.802
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0302 0.2583 0.2523
Loa Loa (eye worm) hypothetical protein 0.0035 0.017 0.009
Echinococcus multilocularis geminin 0.0166 0.1356 0.126
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0038 0.0198 0.0148
Schistosoma mansoni hypothetical protein 0.0047 0.0277 0.0211
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0906 0.8042 0.803
Loa Loa (eye worm) hypothetical protein 0.0101 0.0768 0.0694
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.1123 1 1
Onchocerca volvulus 0.0047 0.0277 1
Schistosoma mansoni hypothetical protein 0.0047 0.0277 0.0211
Loa Loa (eye worm) hypothetical protein 0.0047 0.0277 0.0198
Brugia malayi Importin beta-1 subunit 0.0028 0.0109 0.0109
Brugia malayi latrophilin 2 splice variant baaae 0.0101 0.0768 0.0768
Echinococcus multilocularis snurportin 1 0.0302 0.2583 0.2501
Echinococcus granulosus mitogen activated protein kinase 14 0.1123 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0259 0.0189
Echinococcus multilocularis muscleblind protein 1 0.0147 0.1178 0.1081
Trichomonas vaginalis CMGC family protein kinase 0.0906 0.8042 1
Schistosoma mansoni inositol transporter 0.0038 0.0198 0.0112
Echinococcus multilocularis mitogen activated protein kinase 3 0.0906 0.8042 0.802
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0259 0.018
Mycobacterium ulcerans hypothetical protein 0.0047 0.0277 1
Echinococcus multilocularis neuropeptide receptor A26 0.0914 0.8109 0.8088
Brugia malayi AMP-binding enzyme family protein 0.0047 0.0277 0.0277
Loa Loa (eye worm) hypothetical protein 0.0047 0.0277 0.0198
Echinococcus multilocularis mitogen activated protein kinase 11 0.1123 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.0277 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0259 0.0259
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.0277 0.0217
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0047 0.0277 1
Schistosoma mansoni serine/threonine protein kinase 0.0906 0.8042 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.017 0.009
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.0277 0.0217
Plasmodium falciparum importin beta, putative 0.0028 0.0109 0.3247
Echinococcus granulosus mitogen activated protein kinase 3 0.0906 0.8042 0.802
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0038 0.0198 0.009
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0038 0.0198 0.009
Entamoeba histolytica acyl-CoA synthetase, putative 0.0047 0.0277 1
Loa Loa (eye worm) hypothetical protein 0.0346 0.2977 0.292
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.0277 0.017
Loa Loa (eye worm) hypothetical protein 0.0148 0.1192 0.112
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0906 0.8042 0.8026
Schistosoma mansoni hypothetical protein 0.0166 0.1356 0.1572
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0038 0.0198 0.009
Brugia malayi RNA, U transporter 1 0.008 0.0581 0.0581
Plasmodium vivax acyl-CoA synthetase, putative 0.0035 0.017 1
Echinococcus granulosus geminin 0.0166 0.1356 0.126
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0038 0.0198 0.009
Trichomonas vaginalis CMGC family protein kinase 0.0906 0.8042 1
Echinococcus multilocularis mitogen activated protein kinase 11 0.1123 1 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0906 0.8042 1
Giardia lamblia Kinase, CMGC MAPK 0.0906 0.8042 0.5
Echinococcus multilocularis mitogen activated protein kinase 14 0.1123 1 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0906 0.8042 0.803
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0148 0.1192 0.112
Brugia malayi AMP-binding enzyme family protein 0.0047 0.0277 0.0277
Loa Loa (eye worm) hypothetical protein 0.0047 0.0277 0.0198
Loa Loa (eye worm) hypothetical protein 0.0035 0.017 0.009
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0259 0.0189
Echinococcus granulosus neuropeptide s receptor 0.0914 0.8109 0.8088
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.0277 1
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0277 0.0277
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.008 0.0019
Loa Loa (eye worm) hypothetical protein 0.0035 0.017 0.009
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0148 0.1192 0.1192
Loa Loa (eye worm) hypothetical protein 0.0028 0.0109 0.0029
Trichomonas vaginalis CMGC family protein kinase 0.0906 0.8042 1
Echinococcus multilocularis high affinity choline transporter 1 0.0346 0.2977 0.29
Echinococcus granulosus muscleblind protein 0.0147 0.1178 0.1081
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0277 0.017
Echinococcus granulosus mitogen activated protein kinase 11 0.1123 1 1
Echinococcus multilocularis mitogen activated protein kinase 14 0.1123 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0198 0.0119
Leishmania major hypothetical protein, conserved 0.0025 0.008 0.0019
Schistosoma mansoni sodium/solute symporter 0.0038 0.0198 0.0112
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0259 0.0152
Schistosoma mansoni hypothetical protein 0.0166 0.1356 0.1572
Echinococcus granulosus sodium:glucose cotransporter 2 0.0038 0.0198 0.009
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0906 0.8042 0.803
Plasmodium vivax importin-beta 2, putative 0.0028 0.0109 0.3247
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0259 0.0152
Entamoeba histolytica acyl-coA synthetase, putative 0.0047 0.0277 1
Echinococcus multilocularis solute carrier family 5 0.0038 0.0198 0.009
Brugia malayi AMP-binding enzyme family protein 0.0047 0.0277 0.0277
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0259 0.0152
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0277 0.0277
Echinococcus granulosus high affinity choline transporter 1 0.0346 0.2977 0.29
Echinococcus granulosus neuropeptide receptor A26 0.0914 0.8109 0.8088
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.1123 1 1
Echinococcus multilocularis mitogen activated protein kinase 0.0906 0.8042 0.802
Echinococcus multilocularis GPCR, family 2 0.0047 0.0277 0.017
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.1123 1 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0906 0.8042 0.803
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0047 0.0277 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0277 0.017
Echinococcus granulosus solute carrier family 5 0.0038 0.0198 0.009
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.008 0.0019
Trypanosoma brucei protein kinase, putative 0.0906 0.8042 0.8039
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0047 0.0277 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0109 0.0097
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.0277 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.1178 0.1107
Echinococcus granulosus sodium:myo inositol cotransporter 0.0038 0.0198 0.009
Schistosoma mansoni hypothetical protein 0.0047 0.0277 0.0211
Schistosoma mansoni hypothetical protein 0.0047 0.0277 0.0211
Schistosoma mansoni high-affinity choline transporter 0.0346 0.2977 0.3615
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0259 0.0189
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0906 0.8042 0.803
Brugia malayi hypothetical protein 0.0025 0.008 0.008
Trichomonas vaginalis CMGC family protein kinase 0.0906 0.8042 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0109 0.0097
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0259 0.0152
Brugia malayi Muscleblind-like protein 0.0147 0.1178 0.1178
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0109 0.0037
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0035 0.017 0.139
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.008 0.0068
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0047 0.0277 1
Echinococcus granulosus snurportin 1 0.0302 0.2583 0.2501
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.1123 1 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0906 0.8042 0.803
Echinococcus granulosus sodium:glucose cotransporter 0.0038 0.0198 0.009
Plasmodium falciparum acyl-CoA synthetase 0.0035 0.017 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0035 0.017 0.5
Schistosoma mansoni hypothetical protein 0.0302 0.2583 0.3118
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0047 0.0277 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0906 0.8042 0.8039
Echinococcus multilocularis muscleblind protein 0.0147 0.1178 0.1081
Entamoeba histolytica acyl-CoA synthetase, putative 0.0047 0.0277 1
Schistosoma mansoni inositol transporter 0.0038 0.0198 0.0112
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.0277 0.017
Echinococcus multilocularis neuropeptide s receptor 0.0914 0.8109 0.8088
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.0277 0.0198
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0047 0.0277 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.0277 0.0217
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0047 0.0277 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0047 0.0277 0.5
Loa Loa (eye worm) hypothetical protein 0.0147 0.1178 0.1107
Loa Loa (eye worm) hypothetical protein 0.0035 0.017 0.009
Brugia malayi Sodium:solute symporter family protein 0.0038 0.0198 0.0198
Schistosoma mansoni hypothetical protein 0.0101 0.0768 0.0831

Activities

No activities found for this compound.

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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