Detailed information for compound 762460

Basic information

Technical information
  • TDR Targets ID: 762460
  • Name: dimethyl 4-(4-chlorophenyl)-1-cyclopropyl-4H- pyridine-3,5-dicarboxylate
  • MW: 347.793 | Formula: C18H18ClNO4
  • H donors: 0 H acceptors: 2 LogP: 3.13 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C1=CN(C=C(C1c1ccc(cc1)Cl)C(=O)OC)C1CC1
  • InChi: 1S/C18H18ClNO4/c1-23-17(21)14-9-20(13-7-8-13)10-15(18(22)24-2)16(14)11-3-5-12(19)6-4-11/h3-6,9-10,13,16H,7-8H2,1-2H3
  • InChiKey: YQZGNJZACVWFDT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(4-chlorophenyl)-1-cyclopropyl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
  • A2710/0115314
  • EU-0077330
  • ZINC00140532
  • BAS 04379266
  • 4-(4-Chloro-phenyl)-1-cyclopropyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester

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
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0013 0.0323 0.1802
Loa Loa (eye worm) hypothetical protein 0.0013 0.0323 0.0297
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.1792 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.1792 1
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0008 0 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0323 0.1802
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit 0.0086 0.5095 0.5024
Echinococcus multilocularis lysosomal alpha glucosidase 0.0161 1 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0555 0.0651
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.1778 0.1778
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.1792 1
Schistosoma mansoni alpha-glucosidase 0.0139 0.8531 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.1792 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.1017 0.1192
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0596 0.0698
Loa Loa (eye worm) hypothetical protein 0.0038 0.1935 0.1914
Echinococcus granulosus lysosomal alpha glucosidase 0.0161 1 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.1792 1
Loa Loa (eye worm) hypothetical protein 0.007 0.403 0.4014
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.1792 1
Brugia malayi CXXC zinc finger family protein 0.0028 0.1311 0.1185
Trypanosoma brucei glucosidase, putative 0.0036 0.1792 1
Schistosoma mansoni bromodomain containing protein 0.0064 0.3654 0.4284
Schistosoma mansoni hypothetical protein 0.0015 0.0442 0.0518
Echinococcus granulosus potassium voltage gated channel protein 0.0086 0.5095 0.5095
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0323 0.1802
Brugia malayi PHD-finger family protein 0.0026 0.117 0.1042
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.1792 1
Trypanosoma cruzi ISWI complex protein 0.0015 0.0442 0.0808
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.1792 1
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0787 0.0763
Loa Loa (eye worm) hypothetical protein 0.0017 0.0596 0.0571
Mycobacterium ulcerans bacterioferritin BfrA 0.0008 0 0.5
Schistosoma mansoni alpha glucosidase 0.0036 0.1792 0.21
Echinococcus granulosus zinc finger protein 0.0021 0.0825 0.0825
Leishmania major hypothetical protein, conserved 0.0015 0.0442 0.0808
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0323 0.1802
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.1792 0.1792
Onchocerca volvulus 0.0093 0.5552 1
Schistosoma mansoni cpg binding protein 0.0032 0.154 0.1805
Schistosoma mansoni voltage-gated potassium channel 0.0086 0.5095 0.5972
Trichomonas vaginalis maltase-glucoamylase, putative 0.0013 0.0323 0.1802
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.1792 1
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.1792 1
Brugia malayi Bromodomain containing protein 0.0076 0.4413 0.4332
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0008 0 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0596 0.0698
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.1792 0.1673
Loa Loa (eye worm) hypothetical protein 0.0086 0.5095 0.5082
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.3423 0.3423
Loa Loa (eye worm) hypothetical protein 0.0044 0.2318 0.2298
Echinococcus multilocularis lysosomal alpha glucosidase 0.0161 1 1
Brugia malayi Bromodomain containing protein 0.0038 0.1931 0.1814
Echinococcus multilocularis cpg binding protein 0.0032 0.154 0.154
Schistosoma mansoni zinc finger protein 0.0021 0.0825 0.0967
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0595 0.057
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0026 0.0026
Echinococcus granulosus potassium voltage gated channel subfamily A 0.0086 0.5095 0.5095
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0555 0.0651
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.1792 1
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0082 0.4848 0.4848
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.1017 0.1017
Treponema pallidum bacterioferrin (TpF1) 0.0008 0 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.3423 0.3423
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0013 0.0323 0.1802
Loa Loa (eye worm) hypothetical protein 0.004 0.2089 0.2068
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.1017 0.1017
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0026 0.0026
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.1792 0.177
Brugia malayi Glycosyl hydrolases family 31 protein 0.0013 0.0323 0.0183
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.0596 0.0596
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.3395 0.398
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.0596 0.0596
Echinococcus multilocularis potassium voltage gated channel protein 0.0086 0.5095 0.5095
Schistosoma mansoni cpg binding protein 0.0032 0.154 0.1805
Trypanosoma cruzi ISWI complex protein 0.0015 0.0442 0.0808
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.1311 0.1288
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0555 0.0555
Schistosoma mansoni zinc finger protein 0.0015 0.0442 0.0518
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0323 0.1802
Echinococcus multilocularis zinc finger protein 0.0021 0.0825 0.0825
Schistosoma mansoni cpg binding protein 0.0028 0.1311 0.1536
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0008 0 0.5
Schistosoma mansoni alpha-glucosidase 0.0139 0.8531 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0161 1 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.3127 1
Onchocerca volvulus 0.0028 0.1311 0.1889
Mycobacterium ulcerans bacterioferritin BfrB 0.0008 0 0.5
Trypanosoma brucei ISWI complex protein 0.0015 0.0442 0.0808
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.1792 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0323 0.1802
Echinococcus granulosus cpg binding protein 0.0032 0.154 0.154
Schistosoma mansoni hypothetical protein 0.002 0.0787 0.0923
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0008 0 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.1792 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.1778 0.1778
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.1792 0.1792
Schistosoma mansoni voltage-gated potassium channel 0.0086 0.5095 0.5972
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.1792 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0555 0.0555

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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