Detailed information for compound 1521433

Basic information

Technical information
  • TDR Targets ID: 1521433
  • Name: [[amino-(2-methyl-1,3-thiazol-4-yl)methyliden e]amino] 3-(2-chlorophenyl)-5-methyl-1,2-oxaz ole-4-carboxylate
  • MW: 376.817 | Formula: C16H13ClN4O3S
  • H donors: 1 H acceptors: 3 LogP: 3.72 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1scc(n1)C(=NOC(=O)c1c(C)onc1c1ccccc1Cl)N
  • InChi: 1S/C16H13ClN4O3S/c1-8-13(14(20-23-8)10-5-3-4-6-11(10)17)16(22)24-21-15(18)12-7-25-9(2)19-12/h3-7H,1-2H3,(H2,18,21)
  • InChiKey: VDCZTLLMZMHYOW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [[amino-(2-methylthiazol-4-yl)methylene]amino] 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carboxylate
  • 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid [[amino-(2-methyl-4-thiazolyl)methylene]amino] ester
  • 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carboxylic acid [[amino-(2-methylthiazol-4-yl)methylene]amino] ester
  • MLS000859582
  • O4-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonyl}-2-methyl-1,3-thiazole-4-carbohydroximamide
  • SMR000461359

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Loa Loa (eye worm) thiamine pyrophosphate enzyme 0.0387 0.5006 0.9244
Loa Loa (eye worm) glutaminase 2 0.0276 0.3083 0.5394
Trichomonas vaginalis glutaminase, putative 0.0276 0.3083 1
Mycobacterium tuberculosis Probable oxalyl-CoA decarboxylase OxcA 0.0675 1 1
Mycobacterium ulcerans acetolactate synthase 1 catalytic subunit 0.0675 1 1
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0218 0.208 0.5
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0218 0.208 0.5
Loa Loa (eye worm) glutaminase 0.0276 0.3083 0.5394
Brugia malayi glutaminase DH11.1 0.0276 0.3083 0.2804
Treponema pallidum pyruvate oxidoreductase 0.0098 0 0.5
Mycobacterium leprae Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) 0.0675 1 1
Schistosoma mansoni acetolactate synthase 0.0577 0.8298 1
Mycobacterium ulcerans putative oxalyl-CoA decarboxylase 0.0675 1 1
Mycobacterium tuberculosis Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) 0.0675 1 1
Mycobacterium ulcerans hypothetical protein 0.0675 1 1
Leishmania major putative pyruvate/indole-pyruvate carboxylase, putative 0.0386 0.4994 1
Mycobacterium ulcerans 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase 0.012 0.0378 0.0378
Mycobacterium ulcerans pyruvate or indole-3-pyruvate decarboxylase Pdc 0.0386 0.4994 0.4994
Mycobacterium ulcerans acetolactate synthase large subunit IlvB 0.0386 0.4994 0.4994
Schistosoma mansoni acetolactate synthase 0.0577 0.8298 1
Mycobacterium ulcerans acetolactate synthase 0.0386 0.4994 0.4994
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0218 0.208 0.5
Entamoeba histolytica pyruvate:ferredoxin oxidoreductase 0.0098 0 0.5
Plasmodium falciparum acyl-CoA synthetase 0.0386 0.4994 0.5
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0218 0.208 0.5
Mycobacterium leprae PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) 0.0675 1 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0386 0.4994 0.5
Giardia lamblia Pyruvate-flavodoxin oxidoreductase 0.0098 0 0.5
Mycobacterium ulcerans glutaminase 0.0276 0.3083 0.3083
Mycobacterium tuberculosis Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase) 0.0289 0.3304 0.3304
Loa Loa (eye worm) ILVBL protein 0.0409 0.5384 1
Mycobacterium ulcerans hypothetical protein 0.0218 0.208 0.208

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) 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) 10.4179 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) 20.5962 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.0999 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) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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