Detailed information for compound 911417

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 383.911 | Formula: C23H26ClNO2
  • H donors: 1 H acceptors: 2 LogP: 4.35 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C1C2=C(O)CC(CC2=NC2=C1C(=O)CC(C2)(C)C)(C)C
  • InChi: 1S/C23H26ClNO2/c1-22(2)9-15-20(17(26)11-22)19(13-5-7-14(24)8-6-13)21-16(25-15)10-23(3,4)12-18(21)27/h5-8,19,26H,9-12H2,1-4H3
  • InChiKey: OGVHDJVOGWECJE-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
Loa Loa (eye worm) hypothetical protein 0.0035 0.0061 0.0894
Plasmodium vivax SET domain protein, putative 0.0029 0.0042 0.0093
Loa Loa (eye worm) hypothetical protein 0.0218 0.0655 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0061 0.0619
Loa Loa (eye worm) hypothetical protein 0.0035 0.0061 0.0894
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.007 0.0173 0.175
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0061 0.0619
Schistosoma mansoni microtubule-associated protein tau 0.0676 0.2144 1
Plasmodium falciparum protoporphyrinogen oxidase 0.0218 0.0655 0.1574
Plasmodium falciparum dihydroorotate dehydrogenase 0.0179 0.0527 0.1265
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0061 0.0066
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0218 0.0655 1
Toxoplasma gondii histone lysine-specific demethylase 0.0218 0.0655 1
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.1292 0.4144 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0022 0.0024
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0061 0.0066
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.1292 0.4144 0.4142
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0218 0.0655 0.0652
Brugia malayi SWIRM domain containing protein 0.0218 0.0655 1
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.0179 0.0527 0.7916
Echinococcus granulosus lysine specific histone demethylase 1A 0.0218 0.0655 0.2927
Entamoeba histolytica fatty acid elongase, putative 0.0168 0.0492 1
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.0179 0.0527 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.3094 1 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.007 0.0173 0.175
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0218 0.0655 0.1574
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0061 0.0894
Loa Loa (eye worm) hypothetical protein 0.0035 0.0061 0.0894
Plasmodium vivax hypothetical protein, conserved 0.0218 0.0655 0.1574
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.007 0.0173 0.0641
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.007 0.0173 0.0626
Mycobacterium tuberculosis Conserved hypothetical protein 0.0218 0.0655 0.0705
Loa Loa (eye worm) hypothetical protein 0.0218 0.0655 1
Onchocerca volvulus 0.0035 0.0061 0.0577
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0061 0.0066
Mycobacterium tuberculosis Possible oxidoreductase 0.0218 0.0655 0.0705
Brugia malayi amine oxidase, flavin-containing family protein 0.0218 0.0655 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0022 0.0019
Entamoeba histolytica fatty acid elongase, putative 0.0168 0.0492 1
Entamoeba histolytica fatty acid elongase, putative 0.0168 0.0492 1
Brugia malayi beta-lactamase 0.0035 0.0061 0.0619
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.007 0.0173 0.0626
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.0179 0.0527 0.0524
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.2876 0.9292 1
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0061 0.0066
Mycobacterium ulcerans dehydrogenase 0.0218 0.0655 0.0652
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0022 0.0019
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.1292 0.4144 0.4142
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.1292 0.4144 1
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0179 0.0527 0.1265
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.1292 0.4144 0.4142
Mycobacterium tuberculosis Conserved protein 0.0035 0.0061 0.0066
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0061 0.0093
Trichomonas vaginalis set domain proteins, putative 0.0232 0.0701 1
Brugia malayi beta-lactamase family protein 0.0035 0.0061 0.0619
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.007 0.0173 0.175
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0003 0.0003
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0179 0.0527 0.7847
Loa Loa (eye worm) hypothetical protein 0.0218 0.0655 1
Mycobacterium ulcerans monoamine oxidase 0.0218 0.0655 0.0652
Onchocerca volvulus 0.0035 0.0061 0.0577
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0218 0.0655 0.2915
Plasmodium vivax hypothetical protein, conserved 0.0218 0.0655 0.1574
Brugia malayi Pre-SET motif family protein 0.0204 0.0609 0.9285
Echinococcus multilocularis microtubule associated protein 2 0.0676 0.2144 1
Loa Loa (eye worm) hypothetical protein 0.0218 0.0655 1
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.007 0.0173 0.3217
Brugia malayi Zinc finger, C2H2 type family protein 0.007 0.0173 0.2389
Loa Loa (eye worm) hypothetical protein 0.0218 0.0655 1
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.1292 0.4144 1
Mycobacterium ulcerans hypothetical protein 0.0023 0.0022 0.0019
Toxoplasma gondii ABC1 family protein 0.0035 0.0061 0.032
Leishmania major hypothetical protein, conserved 0.0035 0.0061 0.0619
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0061 0.0066
Loa Loa (eye worm) hypothetical protein 0.0023 0.0022 0.0293
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0061 0.0093
Loa Loa (eye worm) hypothetical protein 0.0023 0.0022 0.0293
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0022 0.0024
Echinococcus granulosus microtubule associated protein 2 0.0676 0.2144 1
Loa Loa (eye worm) beta-lactamase 0.0035 0.0061 0.0894
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0061 0.0058
Mycobacterium ulcerans hypothetical protein 0.0035 0.0061 0.0058
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0179 0.0527 0.7981
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.007 0.0173 0.1886
Schistosoma mansoni amine oxidase 0.0218 0.0655 0.2915
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0061 0.0066
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0061 0.0093
Loa Loa (eye worm) hypothetical protein 0.0218 0.0655 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0022 0.0019
Mycobacterium tuberculosis Conserved protein 0.0035 0.0061 0.0066
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0179 0.0527 0.7847
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0218 0.0655 0.2915
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0225 0.0679 0.0731
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.007 0.0173 0.175
Trypanosoma cruzi UDP-galactopyranose mutase 0.0218 0.0655 1
Onchocerca volvulus 0.0218 0.0655 0.9317
Loa Loa (eye worm) hypothetical protein 0.0023 0.0022 0.0293
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0218 0.0655 0.1574
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0218 0.0655 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0022 0.0019
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0042 0.0017
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.0179 0.0527 0.7847
Brugia malayi beta-lactamase family protein 0.0035 0.0061 0.0619
Mycobacterium ulcerans beta-lactamase 0.0035 0.0061 0.0058
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0218 0.0655 0.1574
Loa Loa (eye worm) hypothetical protein 0.0035 0.0061 0.0894
Mycobacterium tuberculosis Conserved protein 0.0035 0.0061 0.0066
Mycobacterium ulcerans lipase LipD 0.0035 0.0061 0.0058
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0218 0.0655 0.2915
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0022 0.0019
Echinococcus granulosus lysine specific histone demethylase 1A 0.0218 0.0655 0.2927
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.007 0.0173 0.0641
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0061 0.0066
Onchocerca volvulus 0.0029 0.0042 0.0288
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0061 0.0058
Chlamydia trachomatis protoporphyrinogen oxidase 0.0218 0.0655 0.1574
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.0179 0.0527 0.0567
Schistosoma mansoni amine oxidase 0.0218 0.0655 0.2915
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0179 0.0527 0.7981
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0218 0.0655 0.1574
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.0179 0.0527 0.7981
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0204 0.0609 0.9306
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0061 0.0141
Leishmania major dihydroorotate dehydrogenase 0.0179 0.0527 0.7981
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.007 0.0173 0.175
Brugia malayi hypothetical protein 0.0218 0.0655 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0042 0.0593
Echinococcus multilocularis protoporphyrinogen oxidase 0.0218 0.0655 0.2915
Mycobacterium leprae Probable lipase LipE 0.0035 0.0061 0.0619
Loa Loa (eye worm) hypothetical protein 0.0035 0.0061 0.0894
Loa Loa (eye worm) hypothetical protein 0.0035 0.0061 0.0894
Entamoeba histolytica fatty acid elongase, putative 0.0168 0.0492 1
Echinococcus multilocularis 0.0218 0.0655 0.2915
Schistosoma mansoni dihydroorotate dehydrogenase 0.0179 0.0527 0.2308
Mycobacterium ulcerans oxidoreductase 0.0218 0.0655 0.0652
Leishmania major UDP-galactopyranose mutase 0.0218 0.0655 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0061 0.011
Onchocerca volvulus 0.0035 0.0061 0.0577
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0022 0.0019
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.007 0.0173 0.175
Entamoeba histolytica fatty acid elongase, putative 0.0168 0.0492 1
Chlamydia trachomatis oxoacyl-ACP synthase III 0.1292 0.4144 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0022 0.0019
Trypanosoma cruzi UDP-galactopyranose mutase 0.0218 0.0655 1
Onchocerca volvulus 0.0232 0.0701 1
Brugia malayi Pre-SET motif family protein 0.0029 0.0042 0.0309
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.1292 0.4144 0.446

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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