Detailed information for compound 909115

Basic information

Technical information
  • TDR Targets ID: 909115
  • Name: N'-acetyl-5-chloro-3-phenyl-1H-indole-2-carbo hydrazide
  • MW: 327.765 | Formula: C17H14ClN3O2
  • H donors: 3 H acceptors: 2 LogP: 3.42 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)NNC(=O)c1[nH]c2c(c1c1ccccc1)cc(cc2)Cl
  • InChi: 1S/C17H14ClN3O2/c1-10(22)20-21-17(23)16-15(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-16/h2-9,19H,1H3,(H,20,22)(H,21,23)
  • InChiKey: UZNDFGQRLICKFG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-chloro-N'-ethanoyl-3-phenyl-1H-indole-2-carbohydrazide
  • AH-034/34968027
  • ZINC03149147
  • STOCK1S-14735
  • 5-Chloro-3-phenyl-1H-indole-2-carboxylic acid N'-acetyl-hydrazide
  • MLS000779983
  • SMR000420166

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi DOMON domain containing protein 0.0074 0.0472 0.1081
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0076 0.0507 0.5593
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0076 0.0507 0.0507
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0108 0.0906 0.0906
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0384 0.437 0.437
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0108 0.0906 0.0906
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0108 0.0906 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.081 0.9707 0.9707
Schistosoma mansoni tyrosine kinase 0.0148 0.1408 0.1408
Onchocerca volvulus 0.0221 0.2317 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0076 0.0507 0.116
Brugia malayi Furin-like cysteine rich region family protein 0.0148 0.1408 0.3221
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0076 0.0507 0.0507
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0037 0.0018 0.0042
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0076 0.0507 0.5593
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0037 0.0018 0.0042
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0304 0.0657
Schistosoma mansoni dopamine-beta-monooxygenase 0.0728 0.8677 0.8677
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0076 0.0507 0.5593
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0384 0.437 0.437
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0221 0.2317 0.5282
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0384 0.437 0.437
Brugia malayi DOMON domain containing protein 0.0074 0.0472 0.1081
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0304 0.0696
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0039 0.0038 0.0223
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0076 0.0507 0.0507
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0221 0.2317 0.2317
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.008 0.0548 0.0548
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0037 0.0018 0.0201
Echinococcus multilocularis serine protein kinase ATM 0.0037 0.0018 0.0018
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0304 0.0696
Brugia malayi Protein kinase domain containing protein 0.0047 0.0143 0.0328
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0076 0.0507 0.2568
Mycobacterium tuberculosis Probable DNA-3-methyladenine glycosylase I TagA (tag I) (3-methyladenine-DNA glycosylase I, constitutive) (DNA-3-methyladenine g 0.0094 0.0726 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0065 0.0108
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0037 0.0018 0.0018
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0076 0.0507 0.0507
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0221 0.2317 0.2317
Loa Loa (eye worm) hypothetical protein 0.0221 0.2317 0.5282
Mycobacterium ulcerans DNA-3-methyladenine glycosylase I TagA 0.0189 0.1921 0.5
Schistosoma mansoni peptidylglycine monooxygenase 0.0384 0.437 0.437
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0037 0.0018 0.0042
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0108 0.0906 0.4667
Onchocerca volvulus 0.0221 0.2317 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0037 0.0018 0.0042
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0221 0.2317 0.2317
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0108 0.0906 0.2074
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0076 0.0507 0.0507
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0076 0.0507 0.2568
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0221 0.2317 0.2317
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0221 0.2317 0.2317
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0108 0.0906 0.4667
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0037 0.0018 0.0201
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0108 0.0906 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0076 0.0507 0.5593
Schistosoma mansoni fkbp-rapamycin associated protein 0.0037 0.0018 0.0018
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Schistosoma mansoni tyrosine kinase 0.0079 0.0537 0.0537
Entamoeba histolytica hypothetical protein 0.0037 0.0018 0.0201
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0037 0.0018 0.0018
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0384 0.437 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0039 0.0038 0.042
Schistosoma mansoni tyrosine kinase 0.0047 0.0143 0.0143
Schistosoma mansoni tyrosine kinase 0.0079 0.0537 0.0537
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0076 0.0507 0.5593
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0076 0.0507 0.5593
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0076 0.0507 0.0507
Echinococcus multilocularis insulin receptor 0.0047 0.0143 0.0143
Schistosoma mansoni hypothetical protein 0.0041 0.0065 0.0065
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0047 0.0143 0.0143
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0037 0.0018 0.0201
Entamoeba histolytica hypothetical protein 0.0076 0.0507 0.5593
Loa Loa (eye worm) hypothetical protein 0.0076 0.0507 0.1123
Echinococcus granulosus epidermal growth factor receptor 0.0148 0.1408 0.1408
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0047 0.0143 0.0143
Loa Loa (eye worm) DOMON domain-containing protein 0.0074 0.0472 0.1043
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0076 0.0507 1
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0189 0.1924 0.4402
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0061 0.0319 0.0319
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0061 0.0319 0.3392
Loa Loa (eye worm) phosphatidylinositol 3 0.0076 0.0507 0.1123
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0076 0.0507 0.5502
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0108 0.0906 0.2041
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0108 0.0906 1
Entamoeba histolytica hypothetical protein 0.0037 0.0018 0.0201
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0076 0.0507 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0076 0.0507 0.2568
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0061 0.0319 0.6164
Entamoeba histolytica protein kinase rad3, putative 0.0037 0.0018 0.0201
Entamoeba histolytica hypothetical protein 0.0037 0.0018 0.0201
Echinococcus multilocularis 0.0046 0.0125 0.0125
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0076 0.0507 0.2568
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0076 0.0507 0.2568
Echinococcus granulosus serine protein kinase ATM 0.0037 0.0018 0.0018
Schistosoma mansoni tyrosine kinase 0.008 0.0548 0.0548
Trichomonas vaginalis DNA-3-methyladenine glycosylase, putative 0.0189 0.1921 1
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0061 0.0319 0.6164
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0061 0.0319 0.0731
Mycobacterium leprae PROBABLE DNA-3-METHYLADENINE GLYCOSYLASE I TAGA (TAG I) (3-methyladenine-DNA glycosylase I, constitutive) (DNA-3-methyladenine g 0.0094 0.0726 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0221 0.2317 0.5301
Loa Loa (eye worm) phosphatidylinositol 3 0.0039 0.0038 0.0046
Echinococcus multilocularis epidermal growth factor receptor 0.008 0.0548 0.0548
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0037 0.0018 0.0018
Loa Loa (eye worm) DOMON domain-containing protein 0.0074 0.0472 0.1043
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0384 0.437 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0221 0.2317 0.5282
Brugia malayi DOMON domain containing protein 0.0074 0.0472 0.1081
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0076 0.0507 0.2568
Echinococcus granulosus epidermal growth factor receptor 0.008 0.0548 0.0548
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.01 0.0808 1
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0037 0.0018 0.0018
Leishmania major phosphatidylinositol 4-kinase, putative 0.0061 0.0319 0.3392
Loa Loa (eye worm) TK/EGFR protein kinase 0.0148 0.1408 0.3193
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0037 0.0018 0.0018
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0076 0.0507 0.116
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0037 0.0018 0.0018
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0108 0.0906 0.0906
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0076 0.0507 0.2568
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0076 0.0507 0.6187
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0037 0.0018 0.0018
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0037 0.0018 0.0018
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0069 0.0418 0.5057
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0076 0.0507 0.2568
Schistosoma mansoni hypothetical protein 0.0037 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.006 0.0304 0.0657
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0065 0.015
Loa Loa (eye worm) hypothetical protein 0.0384 0.437 1
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0061 0.0319 0.3392
Giardia lamblia Phosphatidylinositol 4-kinase 0.0061 0.0319 0.6164
Trichomonas vaginalis DNA-3-methyladenine glycosylase, putative 0.0189 0.1921 1
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0037 0.0018 0.0018
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0037 0.0018 0.0018
Echinococcus multilocularis Zinc finger, PHD finger 0.0076 0.0507 0.0507
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0076 0.0507 0.5502
Schistosoma mansoni tyrosine kinase 0.008 0.0548 0.0548
Echinococcus granulosus insulin receptor 0.0047 0.0143 0.0143
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0061 0.0319 0.0319
Entamoeba histolytica hypothetical protein 0.0037 0.0018 0.0201
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0108 0.0906 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0037 0.0018 0.0018
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0076 0.0507 0.5502
Echinococcus multilocularis 0.0061 0.0319 0.0319
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0108 0.0906 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.0076 0.0507 0.5502
Loa Loa (eye worm) phosphatidylinositol kinase 0.0221 0.2317 0.5282
Loa Loa (eye worm) TK/INSR protein kinase 0.0047 0.0143 0.0287
Loa Loa (eye worm) DOMON domain-containing protein 0.0074 0.0472 0.1043
Schistosoma mansoni tyrosine kinase 0.0047 0.0143 0.0143
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0221 0.2317 0.5301
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0076 0.0507 0.116
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0195 0.1996 0.4567
Echinococcus multilocularis epidermal growth factor receptor 0.0148 0.1408 0.1408
Loa Loa (eye worm) phosphatidylinositol 3 0.0061 0.0319 0.0692
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0076 0.0507 0.0507
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0076 0.0507 0.5502
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0076 0.0507 0.0507
Loa Loa (eye worm) hypothetical protein 0.0384 0.437 1
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0076 0.0507 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0061 0.0319 0.3392
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0037 0.0018 0.0201
Schistosoma mansoni tyrosine kinase 0.0079 0.0537 0.0537
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0037 0.0018 0.0018
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0076 0.0507 0.2568

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference

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.

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