Detailed information for compound 1587340

Basic information

Technical information
  • TDR Targets ID: 1587340
  • Name: N-(3-chloro-4-methoxyphenyl)-3-[[1-(cycloprop anecarbonyl)-2,3-dihydroindol-5-yl]sulfonylam ino]propanamide
  • MW: 477.961 | Formula: C22H24ClN3O5S
  • H donors: 2 H acceptors: 4 LogP: 2.14 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1Cl)NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1
  • InChi: 1S/C22H24ClN3O5S/c1-31-20-7-4-16(13-18(20)23)25-21(27)8-10-24-32(29,30)17-5-6-19-15(12-17)9-11-26(19)22(28)14-2-3-14/h4-7,12-14,24H,2-3,8-11H2,1H3,(H,25,27)
  • InChiKey: QXBBMNQLLOBEHT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-chloro-4-methoxy-phenyl)-3-[[1-(cyclopropanecarbonyl)indolin-5-yl]sulfonylamino]propanamide
  • N-(3-chloro-4-methoxyphenyl)-3-[[1-(cyclopropyl-oxomethyl)-5-indolinyl]sulfonylamino]propanamide
  • N-(3-chloro-4-methoxy-phenyl)-3-[[1-(cyclopropanecarbonyl)indolin-5-yl]sulfonylamino]propionamide
  • N-(3-chloro-4-methoxy-phenyl)-3-[(1-cyclopropylcarbonyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
  • G849-0101
  • NCGC00135356-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens galactosylceramidase No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major pyruvate kinase 0.0036 0.0467 0.0695
Schistosoma mansoni lipoxygenase 0.0088 0.2429 0.2184
Plasmodium falciparum glutathione reductase 0.0091 0.2535 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0208 0.6892 0.8837
Toxoplasma gondii thioredoxin reductase 0.0091 0.2535 1
Leishmania major trypanothione reductase 0.0091 0.2535 1
Plasmodium falciparum pyruvate kinase 0.0036 0.0467 0.0695
Loa Loa (eye worm) inositol-1 0.004 0.061 0.062
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.061 0.1338
Echinococcus granulosus pyruvate kinase 0.0036 0.0467 0.018
Brugia malayi glutathione reductase 0.0091 0.2535 0.2855
Trichomonas vaginalis pyruvate kinase, putative 0.0036 0.0467 0.5193
Loa Loa (eye worm) hypothetical protein 0.0135 0.4182 0.4673
Brugia malayi hypothetical protein 0.0261 0.8878 1
Schistosoma mansoni inositol monophosphatase 0.004 0.061 0.0307
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.004 0.061 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0231 0.7757 1
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0467 0.0458
Brugia malayi Pyruvate kinase, muscle isozyme 0.0036 0.0467 0.0526
Trypanosoma brucei pyruvate kinase 1 0.0036 0.0467 0.0695
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.061 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.004 0.061 1
Schistosoma mansoni pyruvate kinase 0.0036 0.0467 0.0159
Echinococcus multilocularis pyruvate kinase 0.0036 0.0467 0.0323
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0208 0.6892 0.8837
Giardia lamblia Pyruvate kinase 0.0036 0.0467 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.4182 0.4673
Loa Loa (eye worm) thioredoxin reductase 0.0091 0.2535 0.2804
Trypanosoma cruzi pyruvate kinase 2, putative 0.0036 0.0467 0.0695
Schistosoma mansoni lipoxygenase 0.0126 0.3847 0.3648
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.061 0.1338
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0032 0.0313 0.0352
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0467 0.0458
Onchocerca volvulus Huntingtin homolog 0.0135 0.4182 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0032 0.0313 0.0145
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.004 0.061 0.1338
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0208 0.6892 0.8837
Mycobacterium tuberculosis Probable oxidoreductase 0.0231 0.7757 1
Echinococcus multilocularis pyruvate kinase 0.0036 0.0467 0.0323
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0091 0.2535 0.2985
Mycobacterium leprae Probable pyruvate kinase PykA 0.0036 0.0467 0.0016
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0035 0.0455 0.0192
Trichomonas vaginalis inositol monophosphatase, putative 0.004 0.061 1
Echinococcus granulosus inositol monophosphatase 1 0.004 0.061 0.0347
Loa Loa (eye worm) hypothetical protein 0.0261 0.8878 1
Onchocerca volvulus Huntingtin homolog 0.0135 0.4182 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0126 0.3847 0.4126
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0208 0.6892 0.8837
Brugia malayi hypothetical protein 0.0135 0.4182 0.4711
Trypanosoma cruzi pyruvate kinase 2, putative 0.0036 0.0467 0.0695
Schistosoma mansoni hypothetical protein 0.0053 0.1122 0.0835
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.061 0.1338
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.4516 0.5051
Echinococcus multilocularis inositol monophosphatase 1 0.004 0.061 0.0488
Trichomonas vaginalis pyruvate kinase, putative 0.0036 0.0467 0.5193
Trypanosoma brucei trypanothione reductase 0.0091 0.2535 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0208 0.6892 0.8814
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0231 0.7757 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0092 0.2555 0.2725
Toxoplasma gondii pyruvate kinase PyK1 0.0036 0.0467 0.0695
Schistosoma mansoni pyruvate kinase 0.0036 0.0467 0.0159
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0053 0.1122 0.1264
Schistosoma mansoni inositol monophosphatase 0.004 0.061 0.0307
Mycobacterium ulcerans pyruvate kinase 0.0036 0.0467 0.5193
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0036 0.0467 0.0207
Loa Loa (eye worm) glutathione reductase 0.0091 0.2535 0.2804
Brugia malayi Pyruvate kinase, M2 isozyme 0.0036 0.0467 0.0526
Loa Loa (eye worm) hypothetical protein 0.0036 0.0467 0.0458
Entamoeba histolytica myo-inositol monophosphatase, putative 0.004 0.061 1
Plasmodium vivax thioredoxin reductase, putative 0.0091 0.2535 1
Mycobacterium tuberculosis Probable reductase 0.0208 0.6892 0.8837
Plasmodium vivax pyruvate kinase, putative 0.0036 0.0467 0.0695
Brugia malayi MH2 domain containing protein 0.0144 0.4516 0.5087
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.004 0.061 0.1338
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.061 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.4516 0.5051
Schistosoma mansoni survival motor neuron protein 0.0053 0.1122 0.0835
Echinococcus multilocularis survival motor neuron protein 1 0.0261 0.8878 1
Brugia malayi Thioredoxin reductase 0.0091 0.2535 0.2855
Leishmania major pyruvate kinase 0.0036 0.0467 0.0695
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0126 0.3847 0.4211
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0231 0.7757 1
Brugia malayi Inositol-1 0.004 0.061 0.0687
Plasmodium falciparum thioredoxin reductase 0.0091 0.2535 1
Plasmodium vivax glutathione reductase, putative 0.0091 0.2535 1
Echinococcus granulosus pyruvate kinase 0.0036 0.0467 0.018
Echinococcus granulosus thioredoxin glutathione reductase 0.0092 0.2555 0.2618
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0208 0.6892 0.8837
Echinococcus granulosus survival motor neuron protein 1 0.0261 0.8878 1
Treponema pallidum NADH oxidase 0.0032 0.0313 0.5
Chlamydia trachomatis pyruvate kinase 0.0036 0.0467 1
Onchocerca volvulus 0.0053 0.1122 0.1762
Trypanosoma cruzi trypanothione reductase, putative 0.0091 0.2535 1
Loa Loa (eye worm) pyruvate kinase 0.0036 0.0467 0.0458
Trypanosoma brucei pyruvate kinase 1, putative 0.0036 0.0467 0.0695

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 6.3096 uM PubChem BioAssay. A Novel Cell-Based Assay to Identify Small Molecules for B -Galactocerebrosidase. (Class of assay: confirmatory) ChEMBL. No reference

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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