Detailed information for compound 707330

Basic information

Technical information
  • TDR Targets ID: 707330
  • Name: 6,8-dichloro-3-(3,5-dimethylpiperidine-1-carb onyl)chromen-2-one
  • MW: 354.228 | Formula: C17H17Cl2NO3
  • H donors: 0 H acceptors: 2 LogP: 4.55 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CC(C)CN(C1)C(=O)c1cc2cc(Cl)cc(c2oc1=O)Cl
  • InChi: 1S/C17H17Cl2NO3/c1-9-3-10(2)8-20(7-9)16(21)13-5-11-4-12(18)6-14(19)15(11)23-17(13)22/h4-6,9-10H,3,7-8H2,1-2H3
  • InChiKey: AAXWDEIQUULWOF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6,8-dichloro-3-[(3,5-dimethyl-1-piperidinyl)-oxomethyl]-2-chromenone
  • 6,8-dichloro-3-(3,5-dimethylpiperidine-1-carbonyl)coumarin
  • 6,8-dichloro-3-(3,5-dimethylpiperidin-1-yl)carbonyl-chromen-2-one

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 Type I modular polyketide synthase 0.0026 0.1329 0.2444
Toxoplasma gondii type I fatty acid synthase, putative 0.0027 0.1448 0.2112
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0027 0.1448 0.4308
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0009 0.007 0.0207
Brugia malayi Probable ClpP-like protease 0.0081 0.5439 0.5439
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0021 0.0979 0.2913
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0143 1 1
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0026 0.1329 0.1329
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0081 0.5439 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0081 0.5439 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.2524 0.4238
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0081 0.5439 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0021 0.0954 0.1754
Echinococcus granulosus peptidase Clp S14 family 0.0053 0.3362 0.1167
Onchocerca volvulus Fatty acid synthase homolog 0.0047 0.287 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0026 0.1329 0.3954
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0053 0.3362 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.2524 0.2624
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0017 0.0679 0.1249
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0081 0.5439 0.3129
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0081 0.5439 1
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0024 0.1203 0.0938
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0027 0.1448 0.4308
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0027 0.1448 0.2646
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.2524 0.5
Mycobacterium ulcerans polyketide synthase Pks9 0.0017 0.0679 0.1249
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0017 0.0655 0.0544
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0026 0.1329 0.2426
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0026 0.1329 0.3954
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0026 0.1329 0.2426
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0049 0.3048 0.3048
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0017 0.0679 0.1228
Onchocerca volvulus 0.0045 0.2751 0.9285
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0081 0.5439 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0027 0.1448 0.2663
Mycobacterium leprae Polyketide synthase Pks13 0.0039 0.2278 0.4175
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0081 0.5439 1
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0039 0.2278 0.6777
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0081 0.5439 1
Loa Loa (eye worm) acetyltransferase 0.0143 1 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0081 0.5439 0.4061
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0021 0.0954 0.1754
Mycobacterium ulcerans thioesterase TesA 0.0022 0.1009 0.1856
Brugia malayi AMP-binding enzyme family protein 0.0024 0.1203 0.1203
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0026 0.1329 0.2444
Mycobacterium ulcerans thioesterase 0.0022 0.1009 0.1856
Mycobacterium ulcerans Type I modular polyketide synthase 0.0026 0.1329 0.2444
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.2265 0.5
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0081 0.5439 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0081 0.5439 1
Toxoplasma gondii hypothetical protein 0.0028 0.1487 0.2189
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0015 0.0501 0.149
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0053 0.3362 1
Mycobacterium ulcerans polyketide synthase Pks13 0.0039 0.2278 0.4189
Echinococcus granulosus histone acetyltransferase KAT2B 0.0139 0.9703 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0027 0.1448 0.2646
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0081 0.5439 0.5
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0025 0.127 0.3779
Loa Loa (eye worm) hypothetical protein 0.0043 0.2634 0.2412
Mycobacterium ulcerans polyketide synthase 0.0027 0.1448 0.2663
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0008 0.0013 0.0038
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0027 0.1448 0.2663
Mycobacterium tuberculosis Probable thioesterase TesA 0.0022 0.1009 0.3002
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0024 0.1203 0.3579
Loa Loa (eye worm) hypothetical protein 0.0014 0.0485 0.0199
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0021 0.0954 0.1735
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0022 0.1009 0.1836
Mycobacterium ulcerans Type I modular polyketide synthase 0.0026 0.1329 0.2444
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0025 0.127 0.3779
Mycobacterium leprae Probable polyketide synthase Pks1 0.0027 0.1448 0.2646
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.2524 0.4238
Loa Loa (eye worm) hypothetical protein 0.0081 0.5439 0.5302
Mycobacterium ulcerans fatty acid synthase Fas 0.0008 0.0013 0.0024
Loa Loa (eye worm) fatty acid synthase 0.0026 0.1304 0.1042
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0053 0.3362 0.6172
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0019 0.0789 0.2346
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.2265 0.1968
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.2524 0.5
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.2265 0.5
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0026 0.1329 0.3954
Mycobacterium ulcerans polyketide synthase 0.0026 0.1329 0.2444
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0081 0.5439 1
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.001 0.0186 0.0553
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0143 1 1
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0039 0.2278 0.6777
Toxoplasma gondii type I fatty acid synthase, putative 0.0018 0.0776 0.0783
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0028 0.1487 0.2717
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0027 0.1448 0.4308

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.