Detailed information for compound 1826284

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 489.399 | Formula: C26H22Cl2N6
  • H donors: 0 H acceptors: 3 LogP: 5.92 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cc(ccc1Cl)n1nnc(c1)CN1CCN(CC1)c1nc2ccccc2c2c1cccc2
  • InChi: 1S/C26H22Cl2N6/c27-23-10-9-19(15-24(23)28)34-17-18(30-31-34)16-32-11-13-33(14-12-32)26-22-7-2-1-5-20(22)21-6-3-4-8-25(21)29-26/h1-10,15,17H,11-14,16H2
  • InChiKey: GVKUTKVPXLKYNE-UHFFFAOYSA-N  

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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.003 0.0257 0.0257
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0084 0.3349 0.4398
Toxoplasma gondii type I fatty acid synthase, putative 0.0107 0.4665 1
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0107 0.4665 0.6522
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0072 0.2688 0.3495
Onchocerca volvulus 0.0175 0.8567 0.9285
Brugia malayi Methyltransferase-like protein 4 0.003 0.0289 0.0306
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative 0.0025 0 0.5
Echinococcus granulosus tar DNA binding protein 0.0041 0.0911 0.0911
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0067 0.236 0.3299
Mycobacterium ulcerans Type I modular polyketide synthase 0.0101 0.4308 0.6023
Echinococcus multilocularis tar DNA binding protein 0.0041 0.0911 0.0911
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0057 0.1826 0.224
Loa Loa (eye worm) TAR-binding protein 0.0041 0.0911 0.0911
Brugia malayi RNA, U transporter 1 0.0053 0.1605 0.1697
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0101 0.4308 0.5856
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0031 0.0325 0.0052
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.0025 0 0.5
Mycobacterium ulcerans polyketide synthase MbtD 0.0031 0.0325 0.0454
Trypanosoma brucei beta-ketoacyl-ACP synthase 0.0025 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0041 0.0911 0.0911
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0094 0.393 0.5305
Schistosoma mansoni tar DNA-binding protein 0.0041 0.0911 0.0911
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0101 0.4308 0.581
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0101 0.4308 0.4555
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0107 0.4665 0.6522
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0191 0.9458 1
Loa Loa (eye worm) hypothetical protein 0.0169 0.8218 0.8218
Mycobacterium leprae Polyketide synthase Pks13 0.0151 0.7152 1
Schistosoma mansoni methyltransferase-related 0.003 0.0289 0.0289
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0051 0.1463 0.3136
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.0025 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0041 0.0911 0.0911
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0065 0.2287 0.4903
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0107 0.4665 0.6376
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0101 0.4308 0.5856
Onchocerca volvulus Fatty acid synthase homolog 0.0182 0.8924 1
Echinococcus multilocularis geminin 0.011 0.4856 0.4856
Loa Loa (eye worm) RNA binding protein 0.0041 0.0911 0.0911
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.003 0.0257 0.0257
Loa Loa (eye worm) acyl carrier protein 0.0046 0.1201 0.1201
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0107 0.4665 0.6337
Mycobacterium ulcerans polyketide synthase 0.0107 0.4665 0.6522
Mycobacterium leprae Probable polyketide synthase Pks1 0.0107 0.4665 0.6337
Mycobacterium ulcerans thioesterase 0.0084 0.3349 0.4682
Schistosoma mansoni hypothetical protein 0.011 0.4856 0.4856
Schistosoma mansoni tar DNA-binding protein 0.0041 0.0911 0.0911
Brugia malayi TAR-binding protein 0.0041 0.0911 0.0964
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.003 0.0257 0.0257
Mycobacterium ulcerans polyketide synthase Pks9 0.0067 0.236 0.3299
Mycobacterium ulcerans Type I modular polyketide synthase 0.0101 0.4308 0.6023
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0289 0.5
Leishmania major hypothetical protein, conserved 0.003 0.0289 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.003 0.0257 0.0257
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0081 0.3184 0.4452
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.003 0.0257 0.0272
Mycobacterium ulcerans fatty acid synthase Fas 0.0032 0.0363 0.0508
Brugia malayi RNA binding protein 0.0041 0.0911 0.0964
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0067 0.236 0.2941
Loa Loa (eye worm) hypothetical protein 0.0056 0.1779 0.1779
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0107 0.4665 0.6376
Mycobacterium ulcerans Type I modular polyketide synthase 0.0101 0.4308 0.6023
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.003 0.0257 0.0257
Brugia malayi AMP-binding enzyme family protein 0.0094 0.393 0.4155
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0101 0.4308 0.581
Giardia lamblia Methyltransferase like 2 0.003 0.0289 0.5
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0098 0.4132 0.5599
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0035 0.0534 0.0356
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.003 0.0257 0.0257
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.003 0.0257 0.0257
Toxoplasma gondii type I fatty acid synthase, putative 0.0072 0.265 0.5682
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0107 0.4665 0.6337
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0032 0.0363 0.0108
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0098 0.4132 0.5599
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0025 0 0.5
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0151 0.7152 1
Brugia malayi AMP-binding enzyme family protein 0.0031 0.0325 0.0343
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0082 0.326 0.4329
Mycobacterium tuberculosis Probable thioesterase TesA 0.0084 0.3349 0.4459
Brugia malayi RNA recognition motif domain containing protein 0.0041 0.0911 0.0964
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0081 0.3184 0.4155
Schistosoma mansoni hypothetical protein 0.0201 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0041 0.0911 0.0911
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0094 0.393 0.393
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.003 0.0257 0.0257
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0101 0.4308 0.6023
Echinococcus granulosus geminin 0.011 0.4856 0.4856
Schistosoma mansoni hypothetical protein 0.011 0.4856 0.4856
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0025 0 0.5
Mycobacterium ulcerans polyketide synthase 0.0101 0.4308 0.6023
Echinococcus multilocularis snurportin 1 0.0201 1 1
Schistosoma mansoni tar DNA-binding protein 0.0041 0.0911 0.0911
Mycobacterium ulcerans thioesterase TesA 0.0084 0.3349 0.4682
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0101 0.4308 0.5856
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0041 0.0882 0.0864
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0151 0.7152 1
Mycobacterium ulcerans polyketide synthase Pks13 0.0151 0.7152 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0201 1 1
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0025 0 0.5
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0107 0.4665 0.6376
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0081 0.3184 0.4452
Loa Loa (eye worm) fatty acid synthase 0.0099 0.4231 0.4231

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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