Detailed information for compound 1411314

Basic information

Technical information
  • TDR Targets ID: 1411314
  • Name: 3-(4-chlorophenyl)-2H-pyrazole
  • MW: 178.618 | Formula: C9H7ClN2
  • H donors: 1 H acceptors: 1 LogP: 2.5 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)c1cc[nH]n1
  • InChi: 1S/C9H7ClN2/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H,(H,11,12)
  • InChiKey: HLCXWJKNVWWWOF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 59843-58-2
  • IDI1_032853
  • ZINC00109079
  • AM-814/41090667
  • Maybridge4_004031
  • 676284_ALDRICH
  • SBB003760
  • ZINC05037844
  • 3-(4-chlorophenyl)-1H-pyrazole
  • MLS000660664
  • SMR000310183
  • SR-01000635530-1

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
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 lipoxygenase 0.0131 0.0246 0.0245
Echinococcus granulosus sodium and chloride dependent glycine 0.0758 0.1658 0.1657
Toxoplasma gondii serine carboxypeptidase s28 protein 0.0061 0.009 0.035
Giardia lamblia Kinesin-5 0.0166 0.0327 1
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0758 0.1658 0.1657
Plasmodium vivax kinesin-5 0.0166 0.0327 0.1963
Brugia malayi ERG2 and Sigma1 receptor like protein 0.264 0.5896 0.5896
Schistosoma mansoni hypothetical protein 0.0182 0.0361 0.036
Loa Loa (eye worm) hypothetical protein 0.4463 1 1
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0274 0.0569 0.0569
Loa Loa (eye worm) hypothetical protein 0.0281 0.0585 0.0585
Plasmodium vivax amine transporter, putative 0.0758 0.1658 1
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.009 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0131 0.0246 0.0245
Onchocerca volvulus 0.0324 0.0681 0.068
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0758 0.1658 0.1658
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0061 0.009 1
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.024 0.024
Trypanosoma cruzi serine carboxypeptidase S28, putative 0.0061 0.009 0.0153
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0034 0.0032
Echinococcus multilocularis lysosomal alpha glucosidase 0.0163 0.0319 0.0318
Trichomonas vaginalis lysosomal pro-X carboxypeptidase, putative 0.0061 0.009 1
Loa Loa (eye worm) norepinephrine transporter 0.4463 1 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0061 0.009 1
Schistosoma mansoni alpha-glucosidase 0.014 0.0268 0.0267
Onchocerca volvulus 0.0758 0.1658 0.1657
Trypanosoma cruzi putative prolyl carboxypeptidase, putative 0.0061 0.009 0.0153
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0064 0.0064
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0288 0.0601 1
Schistosoma mansoni hypothetical protein 0.0034 0.0029 0.0028
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0061 0.009 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0758 0.1658 0.1657
Loa Loa (eye worm) hypothetical protein 0.0281 0.0585 0.0585
Onchocerca volvulus 0.0758 0.1658 0.1657
Schistosoma mansoni lysosomal Pro-Xaa carboxypeptidase (S28 family) 0.0281 0.0585 0.0584
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0131 0.0246 0.0245
Trypanosoma cruzi C-8 sterol isomerase, putative 0.264 0.5896 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0061 0.009 1
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0758 0.1658 0.1657
Loa Loa (eye worm) kinesin-like protein KLP2 0.0166 0.0327 0.0327
Brugia malayi hypothetical protein 0.0022 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.4463 1 1
Entamoeba histolytica kinesin, putative 0.0166 0.0327 1
Brugia malayi Kinesin motor domain containing protein 0.0166 0.0327 0.0327
Leishmania major C-8 sterol isomerase-like protein 0.264 0.5896 1
Brugia malayi Serine protease Z688.6 precursor 0.0061 0.009 0.009
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0758 0.1658 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0163 0.0319 0.0319
Trichomonas vaginalis prolylcarboxypeptidase, putative 0.0061 0.009 1
Loa Loa (eye worm) hypothetical protein 0.0281 0.0585 0.0585
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0758 0.1658 0.1657
Loa Loa (eye worm) hypothetical protein 0.005 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0758 0.1658 0.1658
Schistosoma mansoni sodium/chloride dependent transporter 0.0758 0.1658 0.1657
Toxoplasma gondii hypothetical protein 0.0758 0.1658 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0758 0.1658 0.1657
Echinococcus granulosus expressed protein 0.0413 0.0882 0.0881
Entamoeba histolytica serine carboxypeptidase (S28) family protein 0.0061 0.009 0.1941
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0034 0.0029 0.0029
Echinococcus granulosus geminin 0.0182 0.0361 0.036
Echinococcus granulosus lysosomal alpha glucosidase 0.0163 0.0319 0.0318
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.0281 0.0585 0.0584
Schistosoma mansoni hypothetical protein 0.0182 0.0361 0.036
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0758 0.1658 0.1657
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0034 0.0057
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0061 0.009 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0061 0.009 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0758 0.1658 0.1657
Brugia malayi Glycosyl hydrolases family 31 protein 0.0163 0.0319 0.0319
Entamoeba histolytica serine carboxypeptidase (S28) family protein 0.0061 0.009 0.1941
Brugia malayi hypothetical protein 0.0324 0.0681 0.0681
Plasmodium vivax hypothetical protein, conserved 0.0758 0.1658 1
Echinococcus granulosus Lysosomal Pro X carboxypeptidase 0.0061 0.009 0.0089
Echinococcus multilocularis expressed protein 0.0413 0.0882 0.0881
Trypanosoma brucei C-8 sterol isomerase, putative 0.264 0.5896 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0061 0.009 1
Brugia malayi MH2 domain containing protein 0.0128 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0758 0.1658 0.1658
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0758 0.1658 0.1657
Schistosoma mansoni alpha-glucosidase 0.014 0.0268 0.0267
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0034 0.0057
Loa Loa (eye worm) hypothetical protein 0.0061 0.009 0.009
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0288 0.0601 1
Plasmodium falciparum transporter, putative 0.0758 0.1658 1
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.009 1
Entamoeba histolytica serine carboxypeptidase (S28) family protein 0.0061 0.009 0.1941
Echinococcus multilocularis lysosomal alpha glucosidase 0.0163 0.0319 0.0318
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0758 0.1658 0.1657
Onchocerca volvulus 0.0094 0.0164 0.0163
Brugia malayi Serine carboxypeptidase S28 family protein 0.0281 0.0585 0.0585
Echinococcus granulosus sodium and chloride dependent glycine 0.0758 0.1658 0.1657
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0758 0.1658 0.1658
Loa Loa (eye worm) hypothetical protein 0.0324 0.0681 0.0681
Schistosoma mansoni kinesin eg-5 0.0166 0.0327 0.0325
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0758 0.1658 0.1658
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0064 0.0064
Echinococcus multilocularis kinesin family 1 0.128 0.2834 0.2833
Loa Loa (eye worm) hypothetical protein 0.0022 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0758 0.1658 0.1658
Plasmodium falciparum amino acid transporter, putative 0.0758 0.1658 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0758 0.1658 0.1658
Schistosoma mansoni sodium-dependent amino acid transporter 0.0758 0.1658 0.1657
Treponema pallidum sodium- and chloride- dependent transporter 0.4463 1 0.5
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0034 0.0057
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0758 0.1658 0.1658
Schistosoma mansoni hypothetical protein 0.1114 0.246 0.2459
Schistosoma mansoni family S28 unassigned peptidase (S28 family) 0.0061 0.009 0.0089
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.2157 0.2156
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0758 0.1658 0.1657
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0758 0.1658 0.1657
Echinococcus multilocularis sodium and chloride dependent glycine 0.0758 0.1658 0.1657
Schistosoma mansoni sodium/chloride dependent transporter 0.4463 1 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0061 0.009 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0061 0.009 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0061 0.009 1
Trypanosoma brucei glucosidase, putative 0.0036 0.0034 0.0057
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0758 0.1658 0.1657
Brugia malayi Serine protease Z688.6 precursor 0.0061 0.009 0.009
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0758 0.1658 0.1658
Brugia malayi hypothetical protein 0.0758 0.1658 0.1658
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0758 0.1658 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0758 0.1658 0.1657
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0034 0.0034
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0029 0.0029
Loa Loa (eye worm) hypothetical protein 0.0758 0.1658 0.1658
Echinococcus multilocularis geminin 0.0182 0.0361 0.036
Trypanosoma cruzi serine carboxypeptidase S28, putative 0.0061 0.009 0.0153
Onchocerca volvulus 0.0061 0.009 0.0089
Echinococcus granulosus kinesin family 1 0.128 0.2834 0.2833
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0268 0.0555 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0034 0.0034
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0061 0.009 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0758 0.1658 0.1658
Echinococcus granulosus Lysosomal Pro X carboxypeptidase 0.0281 0.0585 0.0584
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0758 0.1658 0.1657
Onchocerca volvulus 0.4463 1 1
Trichomonas vaginalis prolylcarboxypeptidase, putative 0.0061 0.009 1
Loa Loa (eye worm) hypothetical protein 0.135 0.299 0.299
Brugia malayi Doublecortin family protein 0.0022 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0274 0.0569 0.0569
Onchocerca volvulus 0.0758 0.1658 0.1657
Loa Loa (eye worm) solute carrier family 6 member 4 0.4463 1 1
Loa Loa (eye worm) hypothetical protein 0.0758 0.1658 0.1658
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0758 0.1658 1
Toxoplasma gondii kinesin motor domain-containing protein 0.0166 0.0327 0.1804
Brugia malayi NNMT/PNMT/TEMT family protein 0.0274 0.0569 0.0569
Brugia malayi hypothetical protein 0.0022 0.0001 0.0001
Schistosoma mansoni sodium/chloride dependent transporter 0.0758 0.1658 0.1657
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0758 0.1658 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0034 0.0032
Loa Loa (eye worm) hypothetical protein 0.0758 0.1658 0.1658
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0758 0.1658 0.1657
Loa Loa (eye worm) hypothetical protein 0.0274 0.0569 0.0569
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0758 0.1658 0.1657
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.4463 1 1
Toxoplasma gondii hypothetical protein 0.0758 0.1658 1
Loa Loa (eye worm) doublecortin family protein 0.0022 0.0001 0.0001
Loa Loa (eye worm) serotonin transporter b 0.4463 1 1
Loa Loa (eye worm) hypothetical protein 0.4463 1 1
Echinococcus multilocularis serotonin transporter 0.4463 1 1
Schistosoma mansoni alpha glucosidase 0.0036 0.0034 0.0032
Schistosoma mansoni lipoxygenase 0.0091 0.0158 0.0156
Echinococcus granulosus serotonin transporter 0.4463 1 1
Plasmodium falciparum kinesin-5 0.0166 0.0327 0.1963
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0061 0.009 1
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.0061 0.009 0.0089
Loa Loa (eye worm) hypothetical protein 0.264 0.5896 0.5896
Loa Loa (eye worm) hypothetical protein 0.0022 0.0001 0.0001

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8275 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 7.3753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.5774 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 30.1313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: Confirmation Assay for Identification of Novel General Anesthetics. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2323, AID2385, AID485281] ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.

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