Detailed information for compound 1511775

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 284.783 | Formula: C16H11ClNS+
  • H donors: 0 H acceptors: 0 LogP: 5.39 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)c1c(s2)cc2c([n+]1C)cccc2
  • InChi: 1S/C16H11ClNS/c1-18-13-5-3-2-4-10(13)8-15-16(18)12-9-11(17)6-7-14(12)19-15/h2-9H,1H3/q+1
  • InChiKey: PNPTZJHANUKNPJ-UHFFFAOYSA-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
Schistosoma mansoni hypothetical protein 0.0071 0.2539 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.128 0.128
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1468 0.5231
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0016 0.03 0.1256
Mycobacterium ulcerans polyketide synthase 0.0024 0.0645 0.3437
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0325 0.0316
Leishmania major hypothetical protein, conserved 0.004 0.128 0.5
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.002 0.0466 0.0466
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.128 0.128
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.128 0.1336
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0994 0.103
Entamoeba histolytica hypothetical protein 0.004 0.1279 0.5
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.128 0.128
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0036 0.1131 0.1131
Loa Loa (eye worm) hypothetical protein 0.004 0.128 0.1336
Entamoeba histolytica hypothetical protein 0.004 0.1279 0.5
Entamoeba histolytica hypothetical protein 0.004 0.1279 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.387 0.4102
Loa Loa (eye worm) hypothetical protein 0.0071 0.2539 0.268
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.128 0.4314
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.128 0.5
Mycobacterium ulcerans Type I modular polyketide synthase 0.0024 0.0645 0.3437
Mycobacterium ulcerans thioesterase TesA 0.002 0.0481 0.1746
Mycobacterium tuberculosis Conserved protein 0.004 0.128 0.128
Mycobacterium ulcerans polyketide synthase Pks13 0.0036 0.1131 0.8456
Onchocerca volvulus 0.0042 0.1372 0.9285
Brugia malayi MH1 domain containing protein 0.0016 0.0325 0.0316
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0994 0.3061
Plasmodium vivax hypothetical protein, conserved 0.004 0.128 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.128 0.5
Mycobacterium ulcerans beta-lactamase 0.004 0.128 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0024 0.0645 0.3437
Echinococcus multilocularis GPCR, family 2 0.0033 0.0994 0.3061
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0023 0.0615 0.0615
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0019 0.0453 0.1454
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0994 0.103
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.1279 0.4368
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0026 0.0706 0.0706
Loa Loa (eye worm) hypothetical protein 0.004 0.128 0.1336
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.128 0.4314
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0019 0.0453 0.1454
Loa Loa (eye worm) beta-lactamase 0.004 0.128 0.1336
Trypanosoma brucei hypothetical protein, conserved 0.004 0.128 0.5
Mycobacterium ulcerans thioesterase 0.002 0.0481 0.1746
Schistosoma mansoni hypothetical protein 0.0033 0.0994 0.302
Brugia malayi RNA binding protein 0.007 0.2509 0.2648
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0023 0.058 0.0589
Echinococcus granulosus tar DNA binding protein 0.007 0.2509 1
Brugia malayi beta-lactamase family protein 0.004 0.128 0.1336
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.128 0.128
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.128 0.1336
Loa Loa (eye worm) hypothetical protein 0.0103 0.387 0.4102
Schistosoma mansoni tar DNA-binding protein 0.007 0.2509 0.9866
Loa Loa (eye worm) hypothetical protein 0.004 0.128 0.1336
Loa Loa (eye worm) transcription factor SMAD2 0.0239 0.9394 1
Toxoplasma gondii type I fatty acid synthase, putative 0.0017 0.0362 0.1809
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.1279 0.4368
Brugia malayi hypothetical protein 0.004 0.1279 0.1335
Brugia malayi beta-lactamase family protein 0.004 0.128 0.1336
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0026 0.0706 0.4068
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.2509 0.2648
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0994 0.3061
Brugia malayi AMP-binding enzyme family protein 0.0023 0.058 0.0589
Schistosoma mansoni tar DNA-binding protein 0.007 0.2509 0.9866
Brugia malayi MH1 domain containing protein 0.0016 0.0325 0.0316
Mycobacterium ulcerans hypothetical protein 0.004 0.128 1
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.128 0.5
Schistosoma mansoni hypothetical protein 0.004 0.1279 0.4309
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.2539 0.268
Mycobacterium tuberculosis Probable hydrolase 0.004 0.128 0.128
Onchocerca volvulus Fatty acid synthase homolog 0.0044 0.1434 1
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0046 0.1525 0.1597
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.128 0.5
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0325 0.0316
Mycobacterium leprae Probable polyketide synthase Pks1 0.0026 0.0706 0.4068
Mycobacterium tuberculosis Conserved protein 0.004 0.128 0.128
Schistosoma mansoni hypothetical protein 0.0033 0.0994 0.302
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0017 0.0368 0.0368
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0026 0.0706 0.0706
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0024 0.0645 0.3437
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0023 0.058 0.058
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0023 0.0615 0.0615
Loa Loa (eye worm) hypothetical protein 0.004 0.128 0.1336
Toxoplasma gondii ABC1 family protein 0.004 0.128 1
Loa Loa (eye worm) hypothetical protein 0.004 0.128 0.1336
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.128 0.4373
Onchocerca volvulus 0.004 0.128 0.8204
Schistosoma mansoni hypothetical protein 0.0033 0.0994 0.302
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.1468 0.1536
Mycobacterium ulcerans polyketide synthase 0.0026 0.0706 0.4068
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1468 0.5231
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.128 0.4373
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0994 0.103
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0024 0.0645 0.3437
Toxoplasma gondii type I fatty acid synthase, putative 0.0026 0.0706 0.4878
Mycobacterium tuberculosis Probable thioesterase TesA 0.002 0.0481 0.0481
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0026 0.0706 0.4068
Brugia malayi MH2 domain containing protein 0.0239 0.9394 1
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0026 0.0706 0.0706
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0024 0.0645 0.3437
Brugia malayi RNA recognition motif domain containing protein 0.007 0.2509 0.2648
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.128 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0994 0.3061
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0026 0.0706 0.4068
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.128 0.5
Brugia malayi Smad1 0.0016 0.0325 0.0316
Loa Loa (eye worm) fatty acid synthase 0.0024 0.0632 0.0644
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1468 0.5231
Brugia malayi TAR-binding protein 0.007 0.2509 0.2648
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0994 0.3061
Schistosoma mansoni transcription factor LCR-F1 0.004 0.1279 0.4309
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0036 0.1131 0.1131
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.001 0.006 0.006
Brugia malayi MH2 domain containing protein 0.0016 0.0325 0.0316
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1468 0.5161
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0014 0.0221 0.0221
Loa Loa (eye worm) TAR-binding protein 0.007 0.2509 0.2648
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.1468 0.1536
Mycobacterium leprae Probable lipase LipE 0.004 0.128 1
Loa Loa (eye worm) acyl carrier protein 0.0011 0.0114 0.0091
Schistosoma mansoni hypothetical protein 0.0033 0.0994 0.302
Loa Loa (eye worm) RNA binding protein 0.007 0.2509 0.2648
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1468 0.5161
Brugia malayi MH2 domain containing protein 0.0016 0.0325 0.0316
Schistosoma mansoni tar DNA-binding protein 0.007 0.2509 0.9866
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.002 0.0481 0.1746
Brugia malayi beta-lactamase 0.004 0.128 0.1336
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.387 0.4102
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.128 0.128
Trichomonas vaginalis esterase, putative 0.004 0.128 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.128 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.128 0.5
Echinococcus multilocularis tar DNA binding protein 0.007 0.2509 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.128 1
Mycobacterium leprae Polyketide synthase Pks13 0.0036 0.1131 0.8456
Loa Loa (eye worm) hypothetical protein 0.0033 0.0994 0.103
Mycobacterium tuberculosis Conserved protein 0.004 0.128 0.128
Loa Loa (eye worm) Smad1 0.0016 0.0325 0.0316
Loa Loa (eye worm) MH2 domain-containing protein 0.0239 0.9394 1
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0024 0.0645 0.0658
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.128 0.128
Schistosoma mansoni tar DNA-binding protein 0.007 0.2509 0.9866
Mycobacterium ulcerans Type I modular polyketide synthase 0.0024 0.0645 0.3437
Entamoeba histolytica hypothetical protein 0.004 0.1279 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1468 0.5161
Loa Loa (eye worm) hypothetical protein 0.0014 0.0213 0.0196
Loa Loa (eye worm) hypothetical protein 0.0041 0.1313 0.1371
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.387 0.4102
Schistosoma mansoni tar DNA-binding protein 0.007 0.2509 0.9866
Echinococcus granulosus GPCR family 2 0.0033 0.0994 0.3061
Onchocerca volvulus 0.004 0.128 0.8204
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0024 0.0645 0.0645
Loa Loa (eye worm) hypothetical protein 0.004 0.128 0.1336
Onchocerca volvulus 0.004 0.128 0.8204
Mycobacterium ulcerans lipase LipD 0.004 0.128 1
Mycobacterium leprae conserved hypothetical protein 0.004 0.128 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1468 0.5231
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0026 0.0706 0.4068
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0024 0.0645 0.0645
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0019 0.0453 0.1454
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.0645 0.0645

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.
 
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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