Detailed information for compound 1430592

Basic information

Technical information
  • TDR Targets ID: 1430592
  • Name: 4-[5-[(4-ethylphenyl)sulfamoyl]-2,3-dihydroin dol-1-yl]-4-oxobutanoic acid
  • MW: 402.464 | Formula: C20H22N2O5S
  • H donors: 2 H acceptors: 5 LogP: 2.07 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)O
  • InChi: 1S/C20H22N2O5S/c1-2-14-3-5-16(6-4-14)21-28(26,27)17-7-8-18-15(13-17)11-12-22(18)19(23)9-10-20(24)25/h3-8,13,21H,2,9-12H2,1H3,(H,24,25)
  • InChiKey: XAAKGUBTSZDNRX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[5-[(4-ethylphenyl)sulfamoyl]indolin-1-yl]-4-oxo-butanoic acid
  • 4-[5-[(4-ethylphenyl)sulfamoyl]-1-indolinyl]-4-oxobutanoic acid
  • 4-[5-[(4-ethylphenyl)sulfamoyl]indolin-1-yl]-4-keto-butyric acid
  • 4-[5-[(4-ethylphenyl)sulfamoyl]-2,3-dihydroindol-1-yl]-4-oxo-butanoic acid

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
Mycobacterium tuberculosis Possible oxidoreductase 0.0065 0.0361 0.064
Echinococcus multilocularis carboxylesterase 5A 0.1596 1 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.027 0.165 0.165
Loa Loa (eye worm) acetylcholinesterase 1 0.1596 1 1
Onchocerca volvulus 0.027 0.165 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.0361 0.0357
Schistosoma mansoni multidrug resistance protein 0.0011 0.002 0.0016
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0065 0.0361 1
Toxoplasma gondii histone lysine-specific demethylase 0.0065 0.0361 1
Brugia malayi Carboxylesterase family protein 0.027 0.165 0.1647
Loa Loa (eye worm) hypothetical protein 0.0065 0.0361 0.0357
Leishmania major UDP-galactopyranose mutase 0.0065 0.0361 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0011 0.002 0.0124
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0011 0.002 0.0124
Trichomonas vaginalis ABC transporter, putative 0.0011 0.002 0.0124
Entamoeba histolytica P-glycoprotein-2 0.0011 0.002 0.5
Echinococcus granulosus BC026374 protein S09 family 0.027 0.165 0.165
Plasmodium falciparum protoporphyrinogen oxidase 0.0065 0.0361 1
Brugia malayi Carboxylesterase family protein 0.1596 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.027 0.165 0.3065
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0011 0.002 0.002
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0004 0.0004
Brugia malayi amine oxidase, flavin-containing family protein 0.0065 0.0361 0.0357
Loa Loa (eye worm) hypothetical protein 0.0065 0.0361 0.0357
Echinococcus granulosus multidrug resistance protein 1 0.0011 0.002 0.002
Trichomonas vaginalis abcb9, putative 0.0011 0.002 0.0124
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0065 0.0361 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0011 0.002 0.002
Entamoeba histolytica P-glycoprotein-2, putative 0.0011 0.002 0.5
Trichomonas vaginalis taga, putative 0.0011 0.002 0.0124
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0011 0.002 0.0016
Schistosoma mansoni amine oxidase 0.0065 0.0361 0.0357
Entamoeba histolytica P-glycoprotein-2 0.0011 0.002 0.5
Loa Loa (eye worm) hypothetical protein 0.0152 0.091 0.0906
Echinococcus multilocularis para nitrobenzyl esterase 0.027 0.165 0.165
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0065 0.0361 1
Brugia malayi Carboxylesterase family protein 0.027 0.165 0.1647
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0011 0.002 0.0124
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0011 0.002 0.0124
Loa Loa (eye worm) hypothetical protein 0.027 0.165 0.1647
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0065 0.0361 1
Brugia malayi hypothetical protein 0.0152 0.091 0.0906
Echinococcus granulosus acetylcholinesterase 0.1596 1 1
Echinococcus granulosus Smad4 0.0008 0.0004 0.0004
Echinococcus multilocularis BC026374 protein (S09 family) 0.027 0.165 0.165
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0065 0.0361 1
Echinococcus granulosus multidrug resistance protein 1 0.0011 0.002 0.002
Onchocerca volvulus 0.027 0.165 1
Mycobacterium ulcerans carboxylesterase, LipT 0.027 0.165 0.2394
Loa Loa (eye worm) hypothetical protein 0.1596 1 1
Loa Loa (eye worm) hypothetical protein 0.027 0.165 0.1647
Echinococcus multilocularis smad 0.0008 0.0004 0.0004
Plasmodium vivax hypothetical protein, conserved 0.0065 0.0361 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0065 0.0361 0.5
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0011 0.002 0.0124
Onchocerca volvulus 0.027 0.165 1
Echinococcus granulosus multidrug resistance protein 1 0.0011 0.002 0.002
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0065 0.0361 0.0361
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0011 0.002 0.0124
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0856 0.5339 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.002 0.0016
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0011 0.002 0.0124
Schistosoma mansoni neuroligin 3 (S09 family) 0.027 0.165 0.1647
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.027 0.165 0.3065
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0011 0.002 0.002
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0004 0.0004
Trichomonas vaginalis spcc417.12 protein, putative 0.027 0.165 1
Loa Loa (eye worm) hypothetical protein 0.027 0.165 0.1647
Loa Loa (eye worm) hypothetical protein 0.0065 0.0361 0.0357
Brugia malayi hypothetical protein 0.027 0.165 0.1647
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.0709 0.0705
Chlamydia trachomatis protoporphyrinogen oxidase 0.0065 0.0361 1
Echinococcus granulosus carboxylesterase 5A 0.1596 1 1
Schistosoma mansoni multidrug resistance protein 0.0011 0.002 0.0016
Echinococcus granulosus family S9 non peptidase ue S09 family 0.027 0.165 0.165
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0011 0.002 0.0124
Echinococcus granulosus lysine specific histone demethylase 1A 0.0065 0.0361 0.0361
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0011 0.002 0.0124
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.092 0.5747 1
Trichomonas vaginalis ABC transporter, putative 0.0011 0.002 0.0124
Schistosoma mansoni smdr2 0.0011 0.002 0.0016
Loa Loa (eye worm) hypothetical protein 0.027 0.165 0.1647
Mycobacterium tuberculosis Conserved hypothetical protein 0.0065 0.0361 0.064
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0065 0.0361 0.0357
Loa Loa (eye worm) hypothetical protein 0.027 0.165 0.1647
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0011 0.002 0.002
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0011 0.002 0.0124
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0011 0.002 0.0124
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0011 0.002 0.0124
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.0709 0.0705
Echinococcus multilocularis 0.0065 0.0361 0.0361
Onchocerca volvulus 0.0065 0.0361 0.2088
Echinococcus multilocularis ATP binding cassette sub family B 0.0011 0.002 0.002
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0011 0.002 0.002
Entamoeba histolytica P-glycoprotein 5, putative 0.0011 0.002 0.5
Loa Loa (eye worm) hypothetical protein 0.027 0.165 0.1647
Trichomonas vaginalis abcb9, putative 0.0011 0.002 0.0124
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0011 0.002 0.0124
Brugia malayi Carboxylesterase family protein 0.027 0.165 0.1647
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0011 0.002 0.0124
Echinococcus multilocularis multidrug resistance protein 1 0.0011 0.002 0.002
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.027 0.165 0.1647
Loa Loa (eye worm) hypothetical protein 0.1596 1 1
Schistosoma mansoni multidrug resistance protein 0.0011 0.002 0.0016
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0011 0.002 0.0124
Schistosoma mansoni BC026374 protein (S09 family) 0.027 0.165 0.1647
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.027 0.165 0.1647
Brugia malayi multidrug resistance protein 3 0.0011 0.002 0.0016
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0011 0.002 0.0124
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0011 0.002 0.002
Schistosoma mansoni gliotactin 0.027 0.165 0.1647
Echinococcus multilocularis multidrug resistance protein 1 0.0011 0.002 0.002
Trichomonas vaginalis abcb9, putative 0.0011 0.002 0.0124
Loa Loa (eye worm) multidrug resistance protein 3 0.0011 0.002 0.0016
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.092 0.5747 1
Onchocerca volvulus 0.027 0.165 1
Onchocerca volvulus 0.027 0.165 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0065 0.0361 0.5
Loa Loa (eye worm) hypothetical protein 0.0065 0.0361 0.0357
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1596 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0011 0.002 0.0124
Loa Loa (eye worm) carboxylesterase 0.027 0.165 0.1647
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0011 0.002 0.0124
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.027 0.165 0.1647
Loa Loa (eye worm) hypothetical protein 0.027 0.165 0.1647
Echinococcus multilocularis acetylcholinesterase 0.1596 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.002 0.0015
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0011 0.002 0.002
Plasmodium vivax hypothetical protein, conserved 0.0065 0.0361 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0004 0.0004
Entamoeba histolytica P-glycoprotein-5 0.0011 0.002 0.5
Loa Loa (eye worm) carboxylesterase 0.027 0.165 0.1647
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0011 0.002 0.002
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0011 0.002 0.002
Trypanosoma cruzi UDP-galactopyranose mutase 0.0065 0.0361 0.5
Echinococcus granulosus smad 0.0008 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0065 0.0361 0.0357
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0065 0.0361 0.0357
Schistosoma mansoni amine oxidase 0.0065 0.0361 0.0357
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0011 0.002 0.0124
Brugia malayi MH2 domain containing protein 0.012 0.0709 0.0705
Trichomonas vaginalis ABC transporter, putative 0.0011 0.002 0.0124
Entamoeba histolytica P-glyco protein 6, putative 0.0011 0.002 0.5
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0011 0.002 0.002
Trichomonas vaginalis ABC transporter, putative 0.0011 0.002 0.0124
Echinococcus granulosus para nitrobenzyl esterase 0.027 0.165 0.165
Brugia malayi ABC transporter family protein 0.0011 0.002 0.0016
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.027 0.165 1
Echinococcus granulosus acetylcholinesterase 0.1596 1 1
Schistosoma mansoni acetylcholinesterase 0.027 0.165 0.1647
Mycobacterium tuberculosis Carboxylesterase LipT 0.027 0.165 0.3065
Loa Loa (eye worm) carboxylesterase 0.1596 1 1
Entamoeba histolytica P-glycoprotein-1 0.0011 0.002 0.5
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0011 0.002 0.0124
Echinococcus granulosus neuroligin 0.027 0.165 0.165
Echinococcus granulosus lysine specific histone demethylase 1A 0.0065 0.0361 0.0361
Loa Loa (eye worm) hypothetical protein 0.0011 0.002 0.0016
Brugia malayi SWIRM domain containing protein 0.0065 0.0361 0.0357
Onchocerca volvulus 0.0152 0.091 0.5458
Echinococcus multilocularis protoporphyrinogen oxidase 0.0065 0.0361 0.0361
Echinococcus multilocularis acetylcholinesterase 0.1596 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0011 0.002 0.0124
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0011 0.002 0.0124
Brugia malayi hypothetical protein 0.0065 0.0361 0.0357
Brugia malayi Carboxylesterase family protein 0.027 0.165 0.1647
Echinococcus multilocularis neuroligin 0.027 0.165 0.165
Echinococcus multilocularis Smad4 0.0008 0.0004 0.0004
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0004 0.0004

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.