Detailed information for compound 1320157

Basic information

Technical information
  • TDR Targets ID: 1320157
  • Name: 4-chloro-2-[(1,3-thiazol-2-ylamino)methyl]phe nol
  • MW: 240.709 | Formula: C10H9ClN2OS
  • H donors: 2 H acceptors: 2 LogP: 3.04 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)CNc1nccs1)O
  • InChi: 1S/C10H9ClN2OS/c11-8-1-2-9(14)7(5-8)6-13-10-12-3-4-15-10/h1-5,14H,6H2,(H,12,13)
  • InChiKey: VRAFXDUKQJVTEL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-chloro-2-[(thiazol-2-ylamino)methyl]phenol
  • 4-chloro-2-[(2-thiazolylamino)methyl]phenol
  • MLS001183428
  • SMR000503115
  • 4-Chloro-2-(thiazol-2-ylaminomethyl)-phenol
  • BAS 05346793
  • ZINC02832652
  • STK047159

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
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
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0284 0.4824 0.5
Brugia malayi amidase 0.0313 0.5411 0.5411
Plasmodium falciparum lysophospholipase, putative 0.0284 0.4824 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0284 0.4824 0.5
Echinococcus granulosus gamma secretase subunit aph 1 0.0544 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0284 0.4824 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.0313 0.5411 0.5279
Trypanosoma cruzi monoglyceride lipase, putative 0.0284 0.4824 1
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.0544 1 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0313 0.5411 0.5279
Loa Loa (eye worm) hypothetical protein 0.006 0.0379 0.0379
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.028 0.028
Schistosoma mansoni gamma-secretase subunit aph-1 0.0544 1 1
Loa Loa (eye worm) hypothetical protein 0.0313 0.5411 0.5411
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0379 0.0379
Plasmodium falciparum esterase, putative 0.0284 0.4824 0.5
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0284 0.4824 0.5
Plasmodium falciparum lysophospholipase, putative 0.0284 0.4824 0.5
Mycobacterium ulcerans lysophospholipase 0.0284 0.4824 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.0313 0.5411 0.5279
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0284 0.4824 0.5
Leishmania major monoglyceride lipase, putative 0.0284 0.4824 0.5
Trypanosoma brucei monoglyceride lipase, putative 0.0284 0.4824 1
Schistosoma mansoni amidase 0.0313 0.5411 0.5411
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0284 0.4824 0.5
Trypanosoma brucei monoglyceride lipase, putative 0.0284 0.4824 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0284 0.4824 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0284 0.4824 0.5
Mycobacterium tuberculosis Possible lysophospholipase 0.0284 0.4824 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0313 0.5411 0.5279
Plasmodium falciparum lysophospholipase, putative 0.0284 0.4824 0.5
Plasmodium vivax PST-A protein 0.0284 0.4824 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.028 0.028
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0284 0.4824 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.028 0.028
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0284 0.4824 0.5
Echinococcus multilocularis gamma secretase subunit aph 1 0.0544 1 1
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0284 0.4824 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0379 0.0379
Mycobacterium ulcerans hypothetical protein 0.0284 0.4824 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0379 0.0379
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.028 0.028
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.028 0.028
Schistosoma mansoni fatty-acid amide hydrolase 0.0313 0.5411 0.5411

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0037 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) 5.0119 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 18.526 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 (binding) = 25.1189 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) 26.8545 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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