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  


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

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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