Detailed information for compound 842397

Basic information

Technical information
  • TDR Targets ID: 842397
  • Name: methyl 4-[(5-chloro-2-methoxyphenyl)sulfamoyl ]-1-methylpyrrole-2-carboxylate
  • MW: 358.797 | Formula: C14H15ClN2O5S
  • H donors: 1 H acceptors: 3 LogP: 1.97 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1cc(cn1C)S(=O)(=O)Nc1cc(Cl)ccc1OC
  • InChi: 1S/C14H15ClN2O5S/c1-17-8-10(7-12(17)14(18)22-3)23(19,20)16-11-6-9(15)4-5-13(11)21-2/h4-8,16H,1-3H3
  • InChiKey: OMSJZZPYAQPOFB-UHFFFAOYSA-N  

Network

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Synonyms

  • methyl 4-[(5-chloro-2-methoxy-phenyl)sulfamoyl]-1-methyl-pyrrole-2-carboxylate
  • 4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-1-methyl-2-pyrrolecarboxylic acid methyl ester
  • 4-[(5-chloro-2-methoxy-phenyl)sulfamoyl]-1-methyl-pyrrole-2-carboxylic acid methyl 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
Schistosoma mansoni sodium-dependent amino acid transporter 0.0374 0.1491 0.1491
Schistosoma mansoni voltage-gated potassium channel 0.0067 0.0064 0.0064
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0374 0.1491 0.1436
Loa Loa (eye worm) hypothetical protein 0.0374 0.1491 0.1436
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0374 0.1491 0.1491
Loa Loa (eye worm) solute carrier family 6 member 4 0.2206 1 1
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0099 0.0209 0.0146
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.034 0.1331 0.1276
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0374 0.1491 0.1436
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.2206 1 1
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0769 0.3324 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.034 0.1331 0.1276
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0374 0.1491 0.1436
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0769 0.3324 0.5
Echinococcus granulosus serotonin transporter 0.2206 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0374 0.1491 0.1436
Echinococcus multilocularis sodium and chloride dependent glycine 0.0374 0.1491 0.1436
Schistosoma mansoni voltage-gated potassium channel 0.0371 0.1476 0.1476
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0769 0.3324 0.5
Loa Loa (eye worm) hypothetical protein 0.0374 0.1491 0.1436
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0374 0.1491 0.1436
Echinococcus granulosus sodium and chloride dependent glycine 0.0374 0.1491 0.1436
Loa Loa (eye worm) hypothetical protein 0.0374 0.1491 0.1436
Loa Loa (eye worm) hypothetical protein 0.0295 0.1122 0.1066
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0099 0.0209 0.0146
Loa Loa (eye worm) serotonin transporter b 0.2206 1 1
Loa Loa (eye worm) hypothetical protein 0.0374 0.1491 0.1436
Loa Loa (eye worm) hypothetical protein 0.0374 0.1491 0.1436
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0067 0.0064 0.0064
Schistosoma mansoni voltage-gated potassium channel 0.0099 0.0209 0.0209
Onchocerca volvulus 0.2206 1 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0067 0.0064 0.0064
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0374 0.1491 0.1436
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0374 0.1491 0.1491
Echinococcus multilocularis sodium and chloride dependent glycine 0.0374 0.1491 0.1436
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0318 0.1227 0.3568
Loa Loa (eye worm) hypothetical protein 0.0374 0.1491 0.1436
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0769 0.3324 1
Treponema pallidum sodium- and chloride- dependent transporter 0.2206 1 0.5
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0374 0.1491 0.1436
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0374 0.1491 0.1436
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0374 0.1491 0.1491
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0374 0.1491 0.1436
Schistosoma mansoni sodium/chloride dependent transporter 0.0374 0.1491 0.1491
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0374 0.1491 0.1436
Plasmodium falciparum enoyl-acyl carrier reductase 0.0769 0.3324 1
Schistosoma mansoni voltage-gated potassium channel 0.0371 0.1476 0.1476
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0374 0.1491 0.1491
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0374 0.1491 0.1436
Loa Loa (eye worm) hypothetical protein 0.2206 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.034 0.1331 0.1276
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0067 0.0064 0.0064
Trichomonas vaginalis hypothetical protein 0.0769 0.3324 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0099 0.0209 0.0146
Loa Loa (eye worm) norepinephrine transporter 0.2206 1 1
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0769 0.3324 0.5
Loa Loa (eye worm) hypothetical protein 0.2206 1 1
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0769 0.3324 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0374 0.1491 0.1491
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0769 0.3324 0.5
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0374 0.1491 0.1491
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0374 0.1491 0.1491
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0374 0.1491 0.1491
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0067 0.0064 0.0064
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0318 0.1227 0.3568
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.034 0.1331 0.1276
Loa Loa (eye worm) hypothetical protein 0.2206 1 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0374 0.1491 0.1491
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0374 0.1491 0.1436
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0374 0.1491 0.1436
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0067 0.0064 0.0064
Echinococcus multilocularis serotonin transporter 0.2206 1 1
Loa Loa (eye worm) hypothetical protein 0.0374 0.1491 0.1436
Loa Loa (eye worm) hypothetical protein 0.0099 0.0209 0.0146
Echinococcus granulosus voltage gated potassium channel 0.0099 0.0209 0.0146
Brugia malayi hypothetical protein 0.0374 0.1491 0.1436
Schistosoma mansoni voltage-gated potassium channel 0.0099 0.0209 0.0209
Echinococcus granulosus sodium and chloride dependent glycine 0.0374 0.1491 0.1436
Echinococcus multilocularis voltage gated potassium channel 0.0099 0.0209 0.0146
Schistosoma mansoni sodium/chloride dependent transporter 0.2206 1 1

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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