Detailed information for compound 1849002

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 553.284 | Formula: C25H17Cl4NO3S
  • H donors: 0 H acceptors: 3 LogP: 6.95 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1ccc(c(c1)Cl)/C=C/1\CN(C/C(=C\c2ccc(cc2Cl)Cl)/C1=O)S(=O)(=O)c1ccccc1
  • InChi: 1S/C25H17Cl4NO3S/c26-20-8-6-16(23(28)12-20)10-18-14-30(34(32,33)22-4-2-1-3-5-22)15-19(25(18)31)11-17-7-9-21(27)13-24(17)29/h1-13H,14-15H2/b18-10+,19-11+
  • InChiKey: XGWDDGYOTHOLBM-XOBNHNQQSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Brugia malayi Latrophilin receptor protein 2 0.0021 0.0074 0.0042
Mycobacterium ulcerans acyl-CoA synthetase 0.0016 0.0033 0.3333
Echinococcus granulosus GPCR family 2 0.0021 0.0074 0.0027
Mycobacterium ulcerans acyl-CoA synthetase 0.0016 0.0033 0.3333
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0021 0.0074 0.0027
Mycobacterium ulcerans lipase LipD 0.0024 0.0098 1
Schistosoma mansoni cellular tumor antigen P53 0.0066 0.0438 0.0393
Echinococcus multilocularis mitogen activated protein kinase 3 0.1245 1 1
Schistosoma mansoni serine/threonine protein kinase 0.1245 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0021 0.0074 0.0027
Trypanosoma cruzi importin beta-1 subunit, putative 0.002 0.0062 0.0015
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.1245 1 1
Onchocerca volvulus 0.0066 0.0438 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0018 0.0048 0.0015
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0153 0.1141 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0021 0.0074 0.0027
Trichomonas vaginalis Importin beta-1 subunit, putative 0.002 0.0062 0.0015
Schistosoma mansoni hypothetical protein 0.0021 0.0074 0.0027
Echinococcus multilocularis GPCR, family 2 0.0021 0.0074 0.0027
Mycobacterium tuberculosis Probable lipase LipE 0.0024 0.0098 0.0855
Loa Loa (eye worm) hypothetical protein 0.0024 0.0098 0.0098
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0024 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0016 0.0033 0.0033
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0016 0.0033 0.3333
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0016 0.0033 0.0285
Echinococcus granulosus snurportin 1 0.0257 0.1989 0.1951
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0024 0.0098 0.005
Plasmodium vivax hypothetical protein, conserved 0.0024 0.0098 0.9834
Echinococcus multilocularis beta LACTamase domain containing family member 0.0024 0.0098 0.005
Echinococcus granulosus geminin 0.0142 0.1052 0.1009
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0021 0.0074 0.0027
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.1245 1 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0443 0.0443
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.1245 1 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0018 0.0048 0.0048
Mycobacterium tuberculosis Probable hydrolase 0.0024 0.0098 0.0855
Mycobacterium tuberculosis Probable esterase LipL 0.0024 0.0098 0.0855
Trichomonas vaginalis D-aminoacylase, putative 0.0024 0.0098 0.005
Trichomonas vaginalis D-aminoacylase, putative 0.0024 0.0098 0.005
Brugia malayi beta-lactamase family protein 0.0024 0.0098 0.0065
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0024 0.0098 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0021 0.0074 0.0042
Schistosoma mansoni hypothetical protein 0.0142 0.1052 0.1009
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.1245 1 1
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0018 0.0048 0.4802
Brugia malayi Calcitonin receptor-like protein seb-1 0.0066 0.0443 0.0411
Trichomonas vaginalis CMGC family protein kinase 0.1245 1 1
Brugia malayi RNA, U transporter 1 0.0068 0.0459 0.0428
Echinococcus multilocularis mitogen activated protein kinase 0.1245 1 1
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0018 0.0048 0.0016
Trichomonas vaginalis importin beta-1, putative 0.002 0.0062 0.0015
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0012 0 0.5
Entamoeba histolytica Ran family GTPase 0.0018 0.0048 0.5081
Echinococcus multilocularis snurportin 1 0.0257 0.1989 0.1951
Onchocerca volvulus 0.0024 0.0098 0.1603
Loa Loa (eye worm) hypothetical protein 0.0024 0.0098 0.0098
Mycobacterium tuberculosis Conserved protein 0.0024 0.0098 0.0855
Trypanosoma brucei importin beta-1 subunit, putative 0.0024 0.0099 0.0067
Leishmania major GTP-binding protein, putative 0.0018 0.0048 0.0015
Brugia malayi Importin beta-1 subunit 0.0024 0.0099 0.0067
Schistosoma mansoni hypothetical protein 0.0021 0.0074 0.0027
Plasmodium vivax importin-beta 2, putative 0.0024 0.0099 1
Schistosoma mansoni hypothetical protein 0.0142 0.1052 0.1009
Echinococcus granulosus mitogen activated protein kinase 3 0.1245 1 1
Schistosoma mansoni hypothetical protein 0.0257 0.1989 0.1951
Mycobacterium tuberculosis Conserved protein 0.0024 0.0098 0.0855
Schistosoma mansoni hypothetical protein 0.0021 0.0074 0.0027
Echinococcus granulosus tumor protein p63 0.045 0.3556 0.3525
Echinococcus granulosus microtubule associated protein 2 0.0923 0.7394 0.7381
Loa Loa (eye worm) hypothetical protein 0.0024 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0024 0.0098 0.0098
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0016 0.0033 0.3333
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0024 0.0098 0.0855
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0024 0.0098 0.0065
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.1245 1 1
Trichomonas vaginalis CMGC family protein kinase 0.1245 1 1
Echinococcus multilocularis geminin 0.0142 0.1052 0.1009
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0024 0.0098 0.005
Mycobacterium ulcerans hypothetical protein 0.0024 0.0098 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0016 0.0033 0.3333
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0018 0.0048 0.4802
Loa Loa (eye worm) hypothetical protein 0.0066 0.0438 0.0438
Trichomonas vaginalis esterase, putative 0.0024 0.0098 0.005
Loa Loa (eye worm) hypothetical protein 0.0024 0.0098 0.0098
Toxoplasma gondii ABC1 family protein 0.0024 0.0098 0.005
Echinococcus granulosus beta LACTamase domain containing family member 0.0024 0.0098 0.005
Plasmodium falciparum importin beta, putative 0.0024 0.0099 1
Schistosoma mansoni importin beta-1 0.0024 0.0099 0.0052
Loa Loa (eye worm) hypothetical protein 0.0016 0.0033 0.0033
Mycobacterium ulcerans hypothetical protein 0.0016 0.0033 0.3333
Trypanosoma cruzi hypothetical protein, conserved 0.0024 0.0098 0.005
Entamoeba histolytica hypothetical protein 0.002 0.0062 1
Brugia malayi beta-lactamase 0.0024 0.0098 0.0065
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0024 0.0098 0.0855
Loa Loa (eye worm) hypothetical protein 0.0021 0.0074 0.0074
Mycobacterium tuberculosis Conserved protein 0.0024 0.0098 0.0855
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0257 0.1989 0.1989
Trichomonas vaginalis Importin beta-1 subunit, putative 0.002 0.0062 0.0015
Giardia lamblia Kinase, CMGC MAPK 0.1245 1 1
Echinococcus granulosus importin subunit beta 1 0.0024 0.0099 0.0052
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0033 0.0285
Mycobacterium ulcerans esterase/lipase LipP 0.0024 0.0098 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0066 0.0443 0.0411
Trypanosoma cruzi hypothetical protein, conserved 0.0024 0.0098 0.005
Brugia malayi latrophilin 2 splice variant baaae 0.0045 0.0272 0.024
Onchocerca volvulus 0.0024 0.0098 0.1603
Echinococcus multilocularis importin subunit beta 1 0.0024 0.0099 0.0052
Trichomonas vaginalis D-aminoacylase, putative 0.0024 0.0098 0.005
Trichomonas vaginalis penicillin-binding protein, putative 0.0024 0.0098 0.005
Brugia malayi beta-lactamase family protein 0.0024 0.0098 0.0065
Trichomonas vaginalis CMGC family protein kinase 0.1245 1 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0272 0.0272
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.1245 1 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0033 0.0033
Echinococcus granulosus mitogen activated protein kinase 0.1245 1 1
Schistosoma mansoni hypothetical protein 0.0021 0.0074 0.0027
Leishmania major importin beta-1 subunit, putative 0.002 0.0062 0.003
Trichomonas vaginalis penicillin-binding protein, putative 0.0024 0.0098 0.005
Schistosoma mansoni microtubule-associated protein tau 0.0923 0.7394 0.7381
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.1245 1 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0024 0.0098 0.0855
Mycobacterium tuberculosis Probable lipase LipD 0.0024 0.0098 0.0855
Loa Loa (eye worm) beta-lactamase 0.0024 0.0098 0.0098
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0066 0.0443 0.0443
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0543 0.4305 0.4277
Echinococcus multilocularis tumor protein p63 0.045 0.3556 0.3525
Loa Loa (eye worm) latrophilin receptor protein 2 0.0021 0.0074 0.0074
Schistosoma mansoni hypothetical protein 0.0045 0.0272 0.0226
Loa Loa (eye worm) hypothetical protein 0.0024 0.0099 0.0099
Mycobacterium ulcerans acyl-CoA synthetase 0.0016 0.0033 0.3333
Mycobacterium leprae Probable lipase LipE 0.0024 0.0098 1
Trypanosoma brucei protein kinase, putative 0.1245 1 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0016 0.0033 0.3333
Onchocerca volvulus 0.0024 0.0098 0.1603
Loa Loa (eye worm) hypothetical protein 0.0024 0.0098 0.0098
Mycobacterium ulcerans beta-lactamase 0.0024 0.0098 1
Toxoplasma gondii HEAT repeat-containing protein 0.0024 0.0099 0.0052
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.1245 1 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.1245 1 1
Echinococcus multilocularis microtubule associated protein 2 0.0923 0.7394 0.7381
Leishmania major hypothetical protein, conserved 0.0024 0.0098 0.0065
Mycobacterium leprae conserved hypothetical protein 0.0024 0.0098 1
Trypanosoma brucei hypothetical protein, conserved 0.0024 0.0098 0.0066
Trypanosoma brucei importin beta-1 subunit, putative 0.0024 0.0099 0.0067
Trichomonas vaginalis CMGC family protein kinase 0.1245 1 1

Activities

Activity type Activity value Assay description Source Reference
LC50 (functional) > 100 uM Growth inhibition of human SK-MEL-2 cells after 48 hrs by sulforhodamine B assay 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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