Detailed information for compound 2072366

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 348.802 | Formula: C17H18ClFN4O
  • H donors: 1 H acceptors: 3 LogP: 2.54 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCC(CC1)Nc1cccnn1)Cc1c(F)cccc1Cl
  • InChi: 1S/C17H18ClFN4O/c18-14-3-1-4-15(19)13(14)11-17(24)23-9-6-12(7-10-23)21-16-5-2-8-20-22-16/h1-5,8,12H,6-7,9-11H2,(H,21,22)
  • InChiKey: LHTYPLBISWQUBC-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 inosine-5-monophosphate dehydrogenase 0.0112 0.211 0.5712
Mycobacterium ulcerans bifunctional protein BirA 0.0171 0.3385 0.3744
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0102 0.0102
Trypanosoma brucei Biotin--acetyl-CoA-carboxylase ligase, putative 0.0084 0.1486 0.6892
Brugia malayi hypothetical protein 0.0039 0.0502 0.0502
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0112 0.211 0.2291
Echinococcus multilocularis geminin 0.0181 0.3618 1
Onchocerca volvulus 0.0474 1 1
Schistosoma mansoni hypothetical protein 0.0055 0.087 0.2185
Loa Loa (eye worm) runx1 0.0059 0.096 0.096
Entamoeba histolytica hypothetical protein, conserved 0.0076 0.1317 0.8779
Entamoeba histolytica hypothetical protein, conserved 0.0076 0.1317 0.8779
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0292 0.0292
Loa Loa (eye worm) hypothetical protein 0.0028 0.0281 0.0281
Echinococcus multilocularis Protein lozenge 0.0059 0.096 0.244
Loa Loa (eye worm) hypothetical protein 0.0076 0.1317 0.1317
Entamoeba histolytica biotin--acetyl-CoA-carboxylase ligase, putative 0.0084 0.1486 1
Trypanosoma brucei GMP reductase 0.0112 0.211 1
Brugia malayi GMP reductase 0.0047 0.068 0.068
Leishmania major inosine-5-monophosphate dehydrogenase 0.0112 0.211 1
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0106 0.1965 1
Leishmania major biotin/lipoate protein ligase-like protein 0.0084 0.1486 0.6892
Treponema pallidum biotin--acetyl-CoA-carboxylase ligase 0.0178 0.3554 1
Toxoplasma gondii pantoate-beta-alanine ligase 0.0422 0.8869 1
Chlamydia trachomatis biotin synthetase 0.0084 0.1486 1
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0112 0.211 0.5712
Wolbachia endosymbiont of Brugia malayi biotin-(acetyl-CoA carboxylase) ligase 0.0084 0.1486 0.6892
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0112 0.211 1
Entamoeba histolytica hypothetical protein 0.0039 0.0502 0.2895
Entamoeba histolytica hypothetical protein, conserved 0.0076 0.1317 0.8779
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0502 0.114
Loa Loa (eye worm) hypothetical protein 0.0076 0.1317 0.1317
Mycobacterium tuberculosis Possible bifunctional protein BirA: biotin operon repressor + biotin--[acetyl-CoA-carboxylase] synthetase (biotin--protein ligas 0.0076 0.1317 0.1386
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0112 0.211 0.2291
Schistosoma mansoni lamin 0.0029 0.0292 0.0542
Entamoeba histolytica hypothetical protein, conserved 0.0076 0.1317 0.8779
Echinococcus multilocularis musashi 0.0029 0.0292 0.0542
Brugia malayi biotin--acetyl-CoA-carboxylase ligase family protein 0.0084 0.1486 0.1486
Echinococcus granulosus lamin 0.0029 0.0292 0.0542
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0112 0.211 1
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0047 0.068 0.068
Echinococcus multilocularis lamin 0.0029 0.0292 0.0542
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0112 0.211 0.1597
Schistosoma mansoni hypothetical protein 0.0181 0.3618 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0112 0.211 1
Mycobacterium ulcerans pantoate--beta-alanine ligase 0.0422 0.8869 1
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0053 0.0825 0.0825
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0112 0.211 1
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0102 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0076 0.1317 0.8779
Trypanosoma cruzi GMP reductase 0.0112 0.211 1
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0112 0.211 1
Entamoeba histolytica hypothetical protein, conserved 0.0076 0.1317 0.8779
Plasmodium vivax biotin--[acetyl-CoA-carboxylase] synthetase, putative 0.0084 0.1486 0.743
Brugia malayi intermediate filament protein 0.0029 0.0292 0.0292
Entamoeba histolytica hypothetical protein 0.0039 0.0502 0.2895
Mycobacterium tuberculosis Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.0422 0.8869 1
Echinococcus multilocularis biotin protein ligase 0.0084 0.1486 0.3937
Schistosoma mansoni lozenge 0.0059 0.096 0.244
Loa Loa (eye worm) hypothetical protein 0.0474 1 1
Entamoeba histolytica hypothetical protein, conserved 0.0076 0.1317 0.8779
Toxoplasma gondii IMP dehydrogenas 0.0112 0.211 0.2291
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0106 0.1965 1
Echinococcus granulosus intermediate filament protein 0.0029 0.0292 0.0542
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0047 0.068 0.068
Plasmodium falciparum biotin protein ligase, putative 0.0084 0.1486 0.743
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0102 0.5
Echinococcus multilocularis biotin protein ligase 0.0084 0.1486 0.3937
Echinococcus multilocularis N terminal of biotin protein ligase 0.0076 0.1317 0.3457
Loa Loa (eye worm) biotin protein ligase 1 0.0084 0.1486 0.1486
Entamoeba histolytica hypothetical protein, conserved 0.0076 0.1317 0.8779
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0112 0.211 0.211
Schistosoma mansoni lamin 0.0029 0.0292 0.0542
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0502 0.114
Loa Loa (eye worm) hypothetical protein 0.0474 1 1
Loa Loa (eye worm) IMP dehydrogenase 1 0.0112 0.211 0.211
Schistosoma mansoni intermediate filament proteins 0.0029 0.0292 0.0542
Onchocerca volvulus Putative GMP reductase 0.0047 0.068 0.0399
Giardia lamblia Hypothetical protein 0.0084 0.1486 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0292 0.0292
Trypanosoma cruzi GMP reductase 0.0112 0.211 1
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0102 0.0102
Entamoeba histolytica hypothetical protein 0.0039 0.0502 0.2895
Echinococcus granulosus 5'partial|biotin protein ligase 0.0076 0.1317 0.3457
Schistosoma mansoni biotin-protein ligase 0.0084 0.1486 0.3937
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0112 0.211 0.5712
Schistosoma mansoni hypothetical protein 0.0181 0.3618 1
Echinococcus granulosus lamin dm0 0.0029 0.0292 0.0542
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0059 0.0948 0.0152
Mycobacterium leprae POSSIBLE BIFUNCTIONAL PROTEIN BirA: BIOTIN OPERON REPRESSOR + BIOTIN--[ACETYL-COA-CARBOXYLASE] SYNTHETASE (BIOTIN--PROTEIN LIGAS 0.0076 0.1317 0.0611
Entamoeba histolytica hypothetical protein, conserved 0.0076 0.1317 0.8779
Leishmania major guanosine monophosphate reductase 0.0112 0.211 1
Schistosoma mansoni biotin-protein ligase 0.0076 0.1317 0.3457
Trypanosoma cruzi Biotin--acetyl-CoA-carboxylase ligase, putative 0.0084 0.1486 0.6892
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0292 0.0292
Echinococcus multilocularis lamin dm0 0.0029 0.0292 0.0542
Schistosoma mansoni hypothetical protein 0.0039 0.0502 0.114
Echinococcus granulosus N terminal of biotin protein ligase 0.0076 0.1317 0.3457
Plasmodium falciparum biotin--acetyl-CoA-carboxylase, putative 0.0084 0.1486 0.743
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0059 0.0948 0.0965
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0502 0.114
Loa Loa (eye worm) GMP reductase 0.0047 0.068 0.068
Loa Loa (eye worm) hypothetical protein 0.0029 0.0292 0.0292
Entamoeba histolytica hypothetical protein 0.0039 0.0502 0.2895
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0106 0.1965 0.2125
Mycobacterium leprae Probable pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.0422 0.8869 1
Trypanosoma cruzi Biotin--acetyl-CoA-carboxylase ligase, putative 0.0084 0.1486 0.6892
Echinococcus granulosus geminin 0.0181 0.3618 1

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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