Detailed information for compound 1423870

Basic information

Technical information
  • TDR Targets ID: 1423870
  • Name: ZINC00172311
  • MW: 324.357 | Formula: C16H12N4O2S
  • H donors: 2 H acceptors: 4 LogP: 2.32 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1csc(n1)c1cccnc1)NNC(=O)c1ccccc1
  • InChi: 1S/C16H12N4O2S/c21-14(11-5-2-1-3-6-11)19-20-15(22)13-10-23-16(18-13)12-7-4-8-17-9-12/h1-10H,(H,19,21)(H,20,22)
  • InChiKey: IULXYATWZVFRIR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • MLS000860958
  • N'4-benzoyl-2-(3-pyridyl)-1,3-thiazole-4-carbohydrazide
  • SMR000459742

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references
Rattus norvegicus Dual specificity tyrosine-phosphorylation-regulated kinase 1A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma brucei gambiense serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus granulosus dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trypanosoma cruzi CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Leishmania infantum serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma brucei CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum expressed protein Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania mexicana serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania braziliensis serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trypanosoma cruzi CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Leishmania donovani serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum Serine/threonine-protein kinase minibrain, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
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
Brugia malayi MH1 domain containing protein 0.0017 0.0251 0.0251
Entamoeba histolytica protein kinase, putative 0.0108 0.3263 1
Brugia malayi MH1 domain containing protein 0.0017 0.0251 0.0251
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6454 0.5906
Treponema pallidum hypothetical protein 0.0297 0.9508 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0108 0.3263 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6454 0.5906
Trichomonas vaginalis CAMK family protein kinase 0.01 0.3005 0.1922
Trichomonas vaginalis glucosylceramidase, putative 0.0312 1 1
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0108 0.3263 0.3263
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0108 0.3263 1
Giardia lamblia Kinase, PLK 0.01 0.3005 0.5
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0251 0.0251
Echinococcus multilocularis dual specificity 0.0108 0.3263 0.7375
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6454 0.5906
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0141 0.4335 1
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.6454 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 1 1
Brugia malayi MH2 domain containing protein 0.0017 0.0251 0.0251
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0297 0.9508 0.5
Trichomonas vaginalis CAMK family protein kinase 0.01 0.3005 0.1922
Schistosoma mansoni kinase 0.0051 0.1383 0.2772
Trichomonas vaginalis CAMK family protein kinase 0.01 0.3005 0.1922
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0108 0.3263 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0141 0.4335 0.4335
Brugia malayi MH2 domain containing protein 0.0017 0.0251 0.0251
Brugia malayi MH2 domain containing protein 0.025 0.7942 0.7942
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6454 0.5906
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0297 0.9508 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0141 0.4335 1
Trichomonas vaginalis CAMK family protein kinase 0.01 0.3005 0.1922
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0141 0.4335 1
Schistosoma mansoni serine/threonine protein kinase 0.0108 0.3263 0.7375
Trichomonas vaginalis CAMK family protein kinase 0.01 0.3005 0.1922
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0108 0.3263 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 1 1
Echinococcus granulosus dual specificity 0.0108 0.3263 0.7375
Brugia malayi Protein kinase domain containing protein 0.0108 0.3263 0.3263
Trichomonas vaginalis CAMK family protein kinase 0.01 0.3005 0.1922
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0251 0.0251
Brugia malayi serine/threonine-protein kinase plk-2 0.01 0.3005 0.3005
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0141 0.4335 0.4335
Trichomonas vaginalis glucosylceramidase, putative 0.0312 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6454 0.5906
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0141 0.4335 1
Entamoeba histolytica protein kinase, putative 0.0108 0.3263 1
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0297 0.9508 0.5
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.01 0.3005 0.6742
Trichomonas vaginalis glucosylceramidase, putative 0.0312 1 1
Schistosoma mansoni serine/threonine protein kinase 0.01 0.3005 0.6742
Trichomonas vaginalis glucosylceramidase, putative 0.0312 1 1
Loa Loa (eye worm) Smad1 0.0017 0.0251 0.0251
Loa Loa (eye worm) hypothetical protein 0.0107 0.3234 0.3234
Loa Loa (eye worm) MH2 domain-containing protein 0.025 0.7942 0.7942
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0297 0.9508 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.025 0.7942 0.7942
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0141 0.4335 1
Trichomonas vaginalis CAMK family protein kinase 0.01 0.3005 0.1922
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.6819 0.6327
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6454 0.5906
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 1 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.01 0.3005 0.6742
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0141 0.4335 1
Brugia malayi Smad1 0.0017 0.0251 0.0251
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.01 0.3005 0.3005
Entamoeba histolytica hypothetical protein 0.0108 0.3263 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.6454 0.5906
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0108 0.3263 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.3234 0.3234
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0141 0.4335 1
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0297 0.9508 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.6819 0.6327

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 8.554 uM PUBCHEM_BIOASSAY: MLPCN Dyrk1A Kinase Measured in Biochemical System Using Plate Reader - 2124-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504442] ChEMBL. No reference
EC50 (binding) > 300 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of Mex-5 Binding to TCR-2. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
EC50 (binding) > 300 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of POS-1 Binding to mex-3-RNA. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 10.4179 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) 11.6891 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) 26.8545 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) = 31.5479 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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