Detailed information for compound 1577160

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 438.543 | Formula: C23H26N4O3S
  • H donors: 2 H acceptors: 4 LogP: 4.75 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)S(=O)(=O)Nc1c(cnn1c1ccccc1)C(=O)NC1CCCCC1
  • InChi: 1S/C23H26N4O3S/c1-17-12-14-20(15-13-17)31(29,30)26-22-21(23(28)25-18-8-4-2-5-9-18)16-24-27(22)19-10-6-3-7-11-19/h3,6-7,10-16,18,26H,2,4-5,8-9H2,1H3,(H,25,28)
  • InChiKey: PYOYGEPMAQZLDH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens formyl peptide receptor 1 Starlite/ChEMBL References

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
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0019 0.0515 0.0496
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.002 0.002
Brugia malayi Carboxylesterase family protein 0.0034 0.1278 0.1261
Loa Loa (eye worm) hypothetical protein 0.003 0.1089 0.1072
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0463 0.0444
Loa Loa (eye worm) RecQ helicase 0.0019 0.0515 0.0496
Schistosoma mansoni terminal deoxycytidyl transferase 0.0014 0.0242 0.0242
Trypanosoma brucei DNA polymerase eta, putative 0.0014 0.0242 0.1445
Echinococcus granulosus para nitrobenzyl esterase 0.0034 0.1278 0.1261
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.0515 0.3165
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0014 0.0242 0.0242
Brugia malayi polk-prov protein 0.003 0.1089 0.1071
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0515 0.0496
Schistosoma mansoni acetylcholinesterase 0.0034 0.1278 0.1278
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0034 0.1278 0.1278
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.004 0.1598 1
Brugia malayi ImpB/MucB/SamB family protein 0.0014 0.0242 0.0223
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0463 0.5
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0034 0.1278 0.1261
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0019 0.0515 0.0496
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.1598 1
Echinococcus granulosus carboxylesterase 5A 0.02 1 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0034 0.1278 0.1278
Echinococcus multilocularis acetylcholinesterase 0.02 1 1
Leishmania major DNA polymerase kappa, putative 0.002 0.0579 1
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.0515 0.8102
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.1089 0.6789
Echinococcus multilocularis BC026374 protein (S09 family) 0.0034 0.1278 0.1261
Trichomonas vaginalis spcc417.12 protein, putative 0.0034 0.1278 0.7182
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0034 0.1278 0.1261
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.0515 0.3138
Schistosoma mansoni gliotactin 0.0034 0.1278 0.1278
Loa Loa (eye worm) hypothetical protein 0.0034 0.1278 0.1261
Trypanosoma cruzi DNA polymerase eta, putative 0.0014 0.0242 0.1412
Trichomonas vaginalis DNA helicase recq, putative 0.0019 0.0515 0.0455
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.02 1 1
Toxoplasma gondii exonuclease III APE 0.0018 0.0463 0.8998
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0011 0.007 0.1359
Schistosoma mansoni thyroid hormone receptor 0.001 0.002 0.002
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.1598 1
Onchocerca volvulus 0.0034 0.1278 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0034 0.1278 0.1261
Schistosoma mansoni neuroligin 3 (S09 family) 0.0034 0.1278 0.1278
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0515 1
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.002 0.002
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.1598 1
Echinococcus granulosus dna polymerase kappa 0.004 0.1598 0.1581
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.1598 1
Onchocerca volvulus 0.0034 0.1278 1
Onchocerca volvulus 0.0034 0.1278 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.1278 0.1261
Loa Loa (eye worm) acetylcholinesterase 1 0.02 1 1
Mycobacterium ulcerans DNA polymerase IV 0.004 0.1598 1
Trypanosoma brucei DNA polymerase IV, putative 0.0033 0.1262 0.7878
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0463 0.0444
Loa Loa (eye worm) hypothetical protein 0.0019 0.0515 0.0496
Echinococcus multilocularis fatty acid binding protein FABP2 0.0111 0.5318 0.5308
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.035 0.2122
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.002 0.002
Mycobacterium ulcerans carboxylesterase, LipT 0.0034 0.1278 0.7182
Brugia malayi Carboxylesterase family protein 0.02 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0034 0.1278 0.1278
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0579 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0014 0.0242 0.4709
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0034 0.1278 0.1261
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.1598 1
Loa Loa (eye worm) hypothetical protein 0.02 1 1
Echinococcus granulosus fatty acid binding protein FABP2 0.0111 0.5318 0.5308
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.002 0.002
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0579 0.3568
Brugia malayi Carboxylesterase family protein 0.0034 0.1278 0.1261
Echinococcus granulosus BC026374 protein S09 family 0.0034 0.1278 0.1261
Brugia malayi Carboxylesterase family protein 0.0034 0.1278 0.1261
Loa Loa (eye worm) hypothetical protein 0.0014 0.0242 0.0223
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0014 0.0242 0.0223
Trichomonas vaginalis DNA helicase recq, putative 0.0019 0.0515 0.0455
Echinococcus granulosus fatty acid binding protein FABP2 0.0111 0.5318 0.5308
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.035 0.2122
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0463 0.0445
Brugia malayi Bloom's syndrome protein homolog 0.0019 0.0515 0.0496
Entamoeba histolytica recQ family DNA helicase 0.001 0.002 0.0381
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0463 1
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.1598 1
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.1598 1
Schistosoma mansoni fatty acid binding protein 0.0111 0.5318 0.5318
Loa Loa (eye worm) carboxylesterase 0.02 1 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0515 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0463 0.6567
Schistosoma mansoni fatty acid binding protein 0.0111 0.5318 0.5318
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.1598 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.1278 0.1261
Schistosoma mansoni DNA helicase recq1 0.0019 0.0515 0.0515
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0515 0.0496
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0463 0.8998
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0014 0.0242 0.0223
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0019 0.0515 0.0496
Echinococcus multilocularis bloom syndrome protein 0.0019 0.0515 0.0496
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.1598 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.1278 0.1261
Giardia lamblia DINP protein human, muc B family 0.002 0.0579 1
Trichomonas vaginalis DNA helicase recq1, putative 0.0019 0.0515 0.0455
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.1598 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.035 0.2122
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0463 0.2839
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0463 0.2132
Brugia malayi Carboxylesterase family protein 0.0034 0.1278 0.1261
Echinococcus multilocularis para nitrobenzyl esterase 0.0034 0.1278 0.1261
Onchocerca volvulus 0.0034 0.1278 1
Echinococcus granulosus bloom syndrome protein 0.0019 0.0515 0.0496
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0019 0.0515 0.0496
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.002 0.0381
Schistosoma mansoni DNA polymerase eta 0.0014 0.0242 0.0242
Schistosoma mansoni ap endonuclease 0.0018 0.0463 0.0463
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0034 0.1278 1
Brugia malayi hypothetical protein 0.0034 0.1278 0.1261
Mycobacterium tuberculosis Carboxylesterase LipT 0.0034 0.1278 1
Trypanosoma brucei unspecified product 0.0033 0.1262 0.7878
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.1598 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0463 0.0444
Echinococcus multilocularis dna polymerase eta 0.0014 0.0242 0.0223
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0463 0.2811
Schistosoma mansoni ap endonuclease 0.0018 0.0463 0.0463
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.1598 1
Echinococcus multilocularis carboxylesterase 5A 0.02 1 1
Loa Loa (eye worm) lipocalin/cytosolic fatty-acid binding protein family protein 0.0111 0.5318 0.5308
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.002 0.002
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0463 1
Loa Loa (eye worm) carboxylesterase 0.0034 0.1278 0.1261
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.1598 1
Echinococcus granulosus acetylcholinesterase 0.02 1 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0019 0.0515 0.0496
Onchocerca volvulus 0.0034 0.1278 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0019 0.0515 1
Entamoeba histolytica recQ family helicase, putative 0.0019 0.0515 1
Echinococcus multilocularis neuroligin 0.0034 0.1278 0.1261
Schistosoma mansoni coup transcription factor 0.001 0.002 0.002
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0034 0.1278 0.7182
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.002 0.0423
Loa Loa (eye worm) carboxylesterase 0.0034 0.1278 0.1261
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0463 0.2811
Echinococcus granulosus acetylcholinesterase 0.02 1 1
Trichomonas vaginalis DNA polymerase eta, putative 0.004 0.1598 1
Schistosoma mansoni nuclear hormone receptor 0.001 0.002 0.002
Echinococcus multilocularis fatty acid binding protein FABP2 0.0111 0.5318 0.5308
Schistosoma mansoni thyroid hormone receptor 0.001 0.002 0.002
Brugia malayi Lipocalin / cytosolic fatty-acid binding protein family protein 0.0111 0.5318 0.5308
Echinococcus granulosus dna polymerase eta 0.0014 0.0242 0.0223
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0034 0.1278 0.1278
Echinococcus multilocularis acetylcholinesterase 0.02 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.1089 0.6789
Brugia malayi ImpB/MucB/SamB family protein 0.0014 0.0242 0.0223
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0034 0.1278 1
Echinococcus granulosus neuroligin 0.0034 0.1278 0.1261
Mycobacterium ulcerans DNA polymerase IV 0.004 0.1598 1
Loa Loa (eye worm) hypothetical protein 0.001 0.002 0.00000000041735
Echinococcus multilocularis dna polymerase kappa 0.004 0.1598 0.1581
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.002 0.002
Schistosoma mansoni DNA helicase recq5 0.0019 0.0515 0.0515
Loa Loa (eye worm) hypothetical protein 0.0034 0.1278 0.1261
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.1598 1
Loa Loa (eye worm) hypothetical protein 0.02 1 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0014 0.0242 0.0223
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.002 0.002
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.1598 1
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0019 0.0515 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0579 0.3247
Giardia lamblia Sgs1 DNA helicase, putative 0.0019 0.0515 0.447
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.002 0.002

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 5.4 Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay ChEMBL. 21955939

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

1 literature reference was collected for this gene.

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