Detailed information for compound 32629

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 261.704 | Formula: C14H12ClNO2
  • H donors: 2 H acceptors: 2 LogP: 4.16 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C(/c1cc(C)ccc1O)\c1ccc(cc1)Cl
  • InChi: 1S/C14H12ClNO2/c1-9-2-7-13(17)12(8-9)14(16-18)10-3-5-11(15)6-4-10/h2-8,17-18H,1H3/b16-14+
  • InChiKey: LCTYUYIQNJOJKI-JQIJEIRASA-N  

Network

Hover on a compound node to display the structore

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
Trypanosoma brucei Endonuclease-reverse transcriptase/Reverse transcriptase (RNA-dependent DNA polymerase), putative 0.0032 0.0104 0.0045
Mycobacterium tuberculosis Possible maturase 0.0032 0.0104 0.027
Mycobacterium leprae Probable lipase LipE 0.0039 0.0157 0.8833
Brugia malayi Zinc knuckle family protein 0.0032 0.0104 0.0105
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0157 0.0227
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0597 0.4177 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0157 0.0227
Mycobacterium tuberculosis Possible oxidoreductase 0.0042 0.0178 0.046
Trichomonas vaginalis reverse transcriptases, putative 0.0032 0.0104 0.0406
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0157 0.0611
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0042 0.0178 0.0353
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0042 0.0178 1
Mycobacterium ulcerans beta-lactamase 0.0039 0.0157 0.0377
Plasmodium falciparum protoporphyrinogen oxidase 0.0042 0.0178 0.1093
Onchocerca volvulus 0.0039 0.0157 0.0214
Echinococcus granulosus importin subunit beta 1 0.003 0.0089 0.0177
Leishmania major hypothetical protein, conserved 0.0039 0.0157 0.043
Trichomonas vaginalis conserved hypothetical protein 0.0176 0.1146 0.4449
Brugia malayi reverse transcriptase 0.0032 0.0104 0.0105
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0042 0.0178 0.1093
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0157 0.0377
Echinococcus granulosus KRAB A domain containing protein 0.0032 0.0104 0.0207
Onchocerca volvulus 0.0042 0.0178 0.0298
Giardia lamblia Macrophage migration inhibitory factor 0.0176 0.1146 0.4214
Brugia malayi Pao retrotransposon peptidase family protein 0.0032 0.0104 0.0105
Schistosoma mansoni hypothetical protein 0.0032 0.0104 0.0104
Mycobacterium ulcerans lipase LipD 0.0039 0.0157 0.0377
Mycobacterium ulcerans monoamine oxidase 0.0042 0.0178 0.0426
Schistosoma mansoni phosphoglucomutase 0.0374 0.2575 0.2575
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.0176 0.1146 0.4318
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.0176 0.1146 0.4449
Loa Loa (eye worm) hypothetical protein 0.0039 0.0157 0.0227
Schistosoma mansoni phosphoglucomutase 0.0374 0.2575 0.2575
Schistosoma mansoni serine/threonine protein kinase 0.0032 0.0104 0.0104
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0157 0.0312
Mycobacterium tuberculosis Conserved protein 0.0039 0.0157 0.0406
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.0305 0.0305
Schistosoma mansoni phosphoglucomutase 0.0374 0.2575 0.2575
Trypanosoma brucei ingi protein (ORF1) 0.0406 0.2804 0.2761
Loa Loa (eye worm) hypothetical protein 0.0042 0.0178 0.0276
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0317 0.2159 0.4877
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0032 0.0104 0.0207
Schistosoma mansoni importin beta-1 0.003 0.0089 0.0089
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0032 0.0104 0.0207
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0406 0.2804 0.2761
Schistosoma mansoni hypothetical protein 0.0032 0.0104 0.0104
Brugia malayi Pao retrotransposon peptidase family protein 0.0032 0.0104 0.0105
Trypanosoma brucei SLACS retrotransposable element (part), putative 0.0032 0.0104 0.0045
Mycobacterium ulcerans dehydrogenase 0.0042 0.0178 0.0426
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0042 0.0178 0.1093
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.006 0.0305 0.0605
Brugia malayi amine oxidase, flavin-containing family protein 0.0042 0.0178 0.0276
Echinococcus multilocularis protoporphyrinogen oxidase 0.0042 0.0178 0.0353
Toxoplasma gondii ribonuclease HI protein 0.0374 0.2575 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0039 0.0157 0.0406
Echinococcus multilocularis 0.0042 0.0178 0.0353
Trypanosoma cruzi ribonuclease H1, putative 0.0374 0.2575 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0042 0.0178 0.0512
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0157 0.8833
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0089 0.0118
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0075 0.0417 0.0831
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0032 0.0104 0.0207
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0157 0.0312
Brugia malayi Pao retrotransposon peptidase family protein 0.0032 0.0104 0.0105
Leishmania major macrophage migration inhibitory factor-like protein 0.0176 0.1146 0.4342
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0059 0.0043
Loa Loa (eye worm) hypothetical protein 0.0039 0.0157 0.0227
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0049 0.0189
Echinococcus multilocularis lysine specific demethylase 5A 0.006 0.0305 0.0605
Trypanosoma brucei unspecified product 0.0406 0.2804 0.2761
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.006 0.0305 0.0605
Loa Loa (eye worm) hypothetical protein 0.0039 0.0157 0.0227
Mycobacterium tuberculosis Conserved protein 0.0039 0.0157 0.0406
Schistosoma mansoni hypothetical protein 0.036 0.2473 0.2473
Brugia malayi Pao retrotransposon peptidase family protein 0.0032 0.0104 0.0105
Brugia malayi RNA, U transporter 1 0.0084 0.0484 0.0985
Brugia malayi hypothetical protein 0.0032 0.0104 0.0105
Brugia malayi Pao retrotransposon peptidase family protein 0.0032 0.0104 0.0105
Brugia malayi RNase H family protein 0.0374 0.2575 0.5842
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0032 0.0104 0.0207
Loa Loa (eye worm) hypothetical protein 0.0039 0.0157 0.0227
Brugia malayi hypothetical protein 0.0032 0.0104 0.0105
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0059 0.0043
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0032 0.0104 0.0207
Mycobacterium tuberculosis Probable oxidoreductase 0.027 0.1825 0.4711
Onchocerca volvulus 0.0039 0.0157 0.0214
Toxoplasma gondii histone lysine-specific demethylase 0.0042 0.0178 0.0472
Brugia malayi RNase H family protein 0.0374 0.2575 0.5842
Schistosoma mansoni protein kinase 0.0032 0.0104 0.0104
Trichomonas vaginalis reverse transcriptase [C. elegans], putative 0.0032 0.0104 0.0406
Loa Loa (eye worm) hypothetical protein 0.0042 0.0178 0.0276
Brugia malayi jmjC domain containing protein 0.006 0.0305 0.0571
Echinococcus granulosus geminin 0.036 0.2473 0.4901
Giardia lamblia Ribonuclease H 0.0374 0.2575 1
Brugia malayi Pao retrotransposon peptidase family protein 0.0032 0.0104 0.0105
Schistosoma mansoni hypothetical protein 0.0317 0.2159 0.2159
Loa Loa (eye worm) beta-lactamase 0.0039 0.0157 0.0227
Brugia malayi hypothetical protein 0.0032 0.0104 0.0105
Brugia malayi Pao retrotransposon peptidase family protein 0.0032 0.0104 0.0105
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0157 0.0611
Mycobacterium tuberculosis Probable lipase LipE 0.0039 0.0157 0.0406
Mycobacterium tuberculosis Probable lipase LipD 0.0039 0.0157 0.0406
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0157 0.0157
Plasmodium vivax macrophage migration inhibitory factor, putative 0.0176 0.1146 1
Trypanosoma brucei ingi protein (ORF1) 0.0406 0.2804 0.2761
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0039 0.0157 0.0406
Loa Loa (eye worm) hypothetical protein 0.0623 0.4366 1
Plasmodium falciparum importin beta, putative 0.003 0.0089 0.0274
Brugia malayi reverse transcriptase 0.0032 0.0104 0.0105
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0042 0.0178 0.1093
Trypanosoma brucei SLACS reverse transcriptase, putative 0.0032 0.0104 0.0045
Echinococcus granulosus lysine specific histone demethylase 1A 0.0042 0.0178 0.0353
Loa Loa (eye worm) hypothetical protein 0.003 0.0089 0.0069
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0157 0.0227
Loa Loa (eye worm) hypothetical protein 0.0042 0.0178 0.0276
Brugia malayi Muscleblind-like protein 0.0623 0.4366 1
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0157 0.043
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0597 0.4177 1
Plasmodium falciparum macrophage migration inhibitory factor 0.0176 0.1146 1
Brugia malayi hypothetical protein 0.0032 0.0104 0.0105
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0075 0.0417 0.0831
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0039 0.0157 0.0406
Brugia malayi beta-lactamase family protein 0.0039 0.0157 0.0227
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0157 0.0098
Echinococcus multilocularis ribonuclease H1 0.0374 0.2575 0.5104
Leishmania major UDP-galactopyranose mutase 0.0042 0.0178 0.0512
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0157 0.0611
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0042 0.0178 0.0426
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0049 0.0189
Brugia malayi Pao retrotransposon peptidase family protein 0.0032 0.0104 0.0105
Mycobacterium tuberculosis Probable esterase LipL 0.0039 0.0157 0.0406
Mycobacterium tuberculosis Conserved protein 0.0039 0.0157 0.0406
Trichomonas vaginalis ribonuclease H1, putative 0.0374 0.2575 1
Echinococcus granulosus muscleblind protein 0.0623 0.4366 0.8652
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0032 0.0104 0.0207
Plasmodium vivax importin-beta 2, putative 0.003 0.0089 0.0274
Brugia malayi Pao retrotransposon peptidase family protein 0.0032 0.0104 0.0105
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0042 0.0178 0.0472
Trichomonas vaginalis reverse transcriptases, putative 0.0032 0.0104 0.0406
Trypanosoma cruzi ribonuclease H1, putative 0.0374 0.2575 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.025 0.1678 0.4331
Mycobacterium tuberculosis Probable hydrolase 0.0039 0.0157 0.0406
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0032 0.0104 0.0207
Brugia malayi Zinc knuckle family protein 0.0032 0.0104 0.0105
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.0305 0.0305
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0374 0.2575 1
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0178 0.1093
Echinococcus granulosus lysine specific demethylase 5A 0.006 0.0305 0.0605
Trypanosoma brucei RNA helicase, putative 0.1404 1 1
Brugia malayi reverse transcriptase 0.0032 0.0104 0.0105
Loa Loa (eye worm) hypothetical protein 0.0042 0.0178 0.0276
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0157 0.043
Loa Loa (eye worm) macrophage migration inhibitory factor 0.0176 0.1146 0.2522
Echinococcus granulosus RNA directed DNA polymerase 0.0032 0.0104 0.0207
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0157 0.0611
Trypanosoma cruzi UDP-galactopyranose mutase 0.0042 0.0178 0.0512
Brugia malayi beta-lactamase 0.0039 0.0157 0.0227
Trichomonas vaginalis NeSL-1_NeSL reverse transcriptases, putative 0.0032 0.0104 0.0406
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0089 0.003
Loa Loa (eye worm) hypothetical protein 0.0623 0.4366 1
Leishmania major macrophage migration inhibitory factor-like protein 0.0176 0.1146 0.4342
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0042 0.0178 0.0178
Schistosoma mansoni scy1(yeast) protein kinase-like 0.0032 0.0104 0.0104
Schistosoma mansoni amine oxidase 0.0042 0.0178 0.0178
Mycobacterium ulcerans short chain dehydrogenase 0.027 0.1825 0.4369
Leishmania major ribonuclease H1, putative 0.0374 0.2575 1
Onchocerca volvulus 0.0039 0.0157 0.0214
Echinococcus granulosus ribonuclease H1 0.0374 0.2575 0.5104
Schistosoma mansoni hypothetical protein 0.036 0.2473 0.2473
Echinococcus multilocularis snurportin 1 0.0317 0.2159 0.428
Brugia malayi Pao retrotransposon peptidase family protein 0.0032 0.0104 0.0105
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0157 0.0611
Chlamydia trachomatis protoporphyrinogen oxidase 0.0042 0.0178 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.0178 0.0276
Brugia malayi SWIRM domain containing protein 0.0042 0.0178 0.0276
Echinococcus granulosus lysine specific histone demethylase 1A 0.0042 0.0178 0.0353
Echinococcus multilocularis importin subunit beta 1 0.003 0.0089 0.0177
Brugia malayi jmjC domain containing protein 0.006 0.0305 0.0571
Schistosoma mansoni microtubule-associated protein tau 0.0717 0.5046 0.5046
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0032 0.0104 0.0207
Brugia malayi hypothetical protein 0.0042 0.0178 0.0276
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0157 0.0901
Brugia malayi Pao retrotransposon peptidase family protein 0.0032 0.0104 0.0105
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0042 0.0178 0.0178
Brugia malayi Pao retrotransposon peptidase family protein 0.0032 0.0104 0.0105
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0032 0.0104 0.0207
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0157 0.0377
Leishmania major hypothetical protein, conserved 0.0026 0.0059 0.0043
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0032 0.0104 0.0207
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0042 0.0178 0.1093
Loa Loa (eye worm) hypothetical protein 0.0039 0.0157 0.0227
Trypanosoma brucei hypothetical protein, conserved 0.0406 0.2804 0.2761
Brugia malayi Pao retrotransposon peptidase family protein 0.0032 0.0104 0.0105
Trichomonas vaginalis esterase, putative 0.0039 0.0157 0.0611
Schistosoma mansoni amine oxidase 0.0042 0.0178 0.0178
Toxoplasma gondii ABC1 family protein 0.0039 0.0157 0.0389
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0305 0.0571
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0178 0.1093
Mycobacterium ulcerans hypothetical protein 0.0039 0.0157 0.0377
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.0176 0.1146 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0049 0.0189
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0032 0.0104 0.0207
Echinococcus multilocularis microtubule associated protein 2 0.0717 0.5046 1
Echinococcus granulosus microtubule associated protein 2 0.0717 0.5046 1
Schistosoma mansoni jumonji domain containing protein 0.006 0.0305 0.0305
Echinococcus multilocularis muscleblind protein 1 0.0623 0.4366 0.8652
Echinococcus multilocularis RNA directed DNA polymerase 0.0032 0.0104 0.0207
Brugia malayi RNase H family protein 0.0374 0.2575 0.5842
Echinococcus multilocularis geminin 0.036 0.2473 0.4901
Mycobacterium tuberculosis Conserved hypothetical protein 0.0042 0.0178 0.046
Echinococcus granulosus snurportin 1 0.0317 0.2159 0.428
Trypanosoma cruzi hypothetical protein, conserved 0.0032 0.0104 0.0221
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0157 0.0157
Onchocerca volvulus Ribonuclease H1 homolog 0.0374 0.2575 1
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0032 0.0104 0.0207
Echinococcus multilocularis muscleblind protein 0.0623 0.4366 0.8652
Brugia malayi beta-lactamase family protein 0.0039 0.0157 0.0227
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0089 0.003
Treponema pallidum ribonuclease H (rnhA) 0.0374 0.2575 1
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0032 0.0104 0.0207
Brugia malayi Bm-MIF-1, identical 0.0176 0.1146 0.2522
Loa Loa (eye worm) hypothetical protein 0.0042 0.0178 0.0276
Trypanosoma brucei ribonuclease H1 0.0374 0.2575 0.2531
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0555 0.3874 1
Mycobacterium ulcerans oxidoreductase 0.0042 0.0178 0.0426
Brugia malayi Importin beta-1 subunit 0.003 0.0089 0.0069
Brugia malayi Pao retrotransposon peptidase family protein 0.0032 0.0104 0.0105
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0032 0.0104 0.0207

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 25 % Inhibition of histamine release from sensitized guinea pig chopped lung upon antigen challenge at 10 ug/mL. ChEMBL. 3612683
Inhibition (functional) = 32 % Inhibition of slow reacting substance of anaphylaxis (SRS-A) release from sensitized guinea pig chopped lung upon antigen challenge at 10 ug/mL ChEMBL. 3612683
Inhibition (functional) = 40 % Inhibition of slow reacting substance of anaphylaxis (SRS-A) release from sensitized guinea pig chopped lung upon antigen challenge at 10 ug/mL ChEMBL. 3612683
Inhibition (functional) = 59 % Inhibition of histamine release from sensitized guinea pig chopped lung upon antigen challenge at 10 ug/mL. ChEMBL. 3612683

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

1 literature reference was collected for this gene.

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