Detailed information for compound 1235053

Basic information

Technical information
  • TDR Targets ID: 1235053
  • Name: 3-chloro-5-(2-phenylethylamino)-1,2-thiazole- 4-carbonitrile
  • MW: 263.746 | Formula: C12H10ClN3S
  • H donors: 1 H acceptors: 2 LogP: 4.49 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(NCCc2ccccc2)snc1Cl
  • InChi: 1S/C12H10ClN3S/c13-11-10(8-14)12(17-16-11)15-7-6-9-4-2-1-3-5-9/h1-5,15H,6-7H2
  • InChiKey: BOLGJEONPMUAMD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-chloro-5-(2-phenylethylamino)isothiazole-4-carbonitrile
  • 3-chloro-5-(2-phenylethylamino)-4-isothiazolecarbonitrile
  • SMR000337537
  • ZINC04109936
  • MS-2858
  • 3-chloro-5-(phenethylamino)-4-isothiazolecarbonitrile
  • MLS000696339

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens trace amine associated receptor 1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis sex peptide receptor trace amine associated receptor 1 339 aa 281 aa 17.1 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1362 0.2049
Echinococcus multilocularis serine threonine protein kinase 0.0124 0.2769 0.3842
Schistosoma mansoni serine/threonine protein kinase 0.0124 0.2769 0.4166
Trichomonas vaginalis AGC family protein kinase 0.0027 0.0074 0.0074
Trypanosoma brucei NEK family Serine/threonine-protein kinase, putative 0.0027 0.0074 0.0074
Plasmodium falciparum calcium-dependent protein kinase 7 0.0027 0.0074 0.0123
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0124 0.2769 0.3842
Brugia malayi GTP-ase activating protein for Arf containing protein 0.0024 0.000000041591 0.000000041591
Echinococcus multilocularis nervana 2 0.0239 0.5915 0.8207
Trichomonas vaginalis AGC family protein kinase 0.0124 0.2769 0.2769
Schistosoma mansoni serine/threonine kinase 0.0124 0.2769 0.4166
Trichomonas vaginalis AGC family protein kinase 0.0148 0.3427 0.3427
Trypanosoma brucei serine/threonine-protein kinase NRKB, putative 0.0027 0.0074 0.0074
Entamoeba histolytica protein kinase 2, putative 0.0241 0.5989 0.5989
Echinococcus multilocularis serine:threonine protein kinase 38 0.0124 0.2769 0.3842
Toxoplasma gondii calcium dependent protein kinase CDPK7 0.0027 0.0074 0.0079
Schistosoma mansoni hypothetical protein 0.0058 0.0946 0.1424
Entamoeba histolytica PH domain containing protein kinase, putative 0.0027 0.0074 0.0074
Echinococcus granulosus Protein kinase C brain isozyme 0.0124 0.2769 0.3842
Entamoeba histolytica PH domain containing protein kinase, putative 0.0027 0.0074 0.0074
Trichomonas vaginalis set domain proteins, putative 0.0286 0.7221 0.7221
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1362 0.5
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.1362 0.5
Trichomonas vaginalis AGC family protein kinase 0.0387 1 1
Onchocerca volvulus 0.0058 0.0946 0.1311
Trichomonas vaginalis AGC family protein kinase 0.0027 0.0074 0.0074
Echinococcus multilocularis rac serine:threonine kinase 0.0265 0.6647 0.9222
Brugia malayi MH2 domain containing protein 0.0144 0.3313 0.3313
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0335 0.0504
Brugia malayi p70 ribosomal S6 kinase beta 0.0363 0.9342 0.9342
Trypanosoma cruzi Serine/threonine-protein kinase NEK17, putative 0.0027 0.0074 0.0111
Trichomonas vaginalis AGC family protein kinase 0.0027 0.0074 0.0074
Schistosoma mansoni serine/threonine protein kinase 0.0124 0.2769 0.4166
Trypanosoma cruzi NIMA-related kinase, putative 0.0027 0.0074 0.0111
Trichomonas vaginalis AGC family protein kinase 0.0124 0.2769 0.2769
Brugia malayi Protein kinase domain containing protein 0.0124 0.2769 0.2769
Plasmodium vivax calcium-dependent protein kinase 7, putative 0.0027 0.0074 0.0123
Trichomonas vaginalis ankyrin repeat and FYVE domain containing protein, putative 0.0024 0.000000041591 0.000000041591
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0946 0.0946
Echinococcus multilocularis serine:threonine protein kinase N2 0.0124 0.2769 0.3842
Trypanosoma cruzi Serine/threonine-protein kinase NEK17, putative 0.0027 0.0074 0.0111
Trichomonas vaginalis AGC family protein kinase 0.0027 0.0074 0.0074
Trichomonas vaginalis AGC family protein kinase 0.0027 0.0074 0.0074
Entamoeba histolytica protein kinase, putative 0.0027 0.0074 0.0074
Giardia lamblia Kinase, AGC PKA 0.0241 0.5989 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0124 0.2769 0.4166
Entamoeba histolytica protein kinase, putative 0.0027 0.0074 0.0074
Echinococcus multilocularis arf GAP with coiled coil, ANK repeat and PH 0.0024 0.000000041591 0.000000057704
Trypanosoma cruzi NIMA-related kinase, putative 0.0027 0.0074 0.0111
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0124 0.2769 0.3842
Brugia malayi protein kinase C II. 0.0124 0.2769 0.2769
Entamoeba histolytica PH domain containing protein kinase, putative 0.0027 0.0074 0.0074
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0335 0.0465
Entamoeba histolytica protein kinase, putative 0.0027 0.0074 0.0074
Trichomonas vaginalis ankyrin 2,3/unc44, putative 0.0024 0.000000041591 0.000000041591
Loa Loa (eye worm) AGC/PKN protein kinase 0.0124 0.2769 0.2769
Entamoeba histolytica hypothetical protein 0.0027 0.0074 0.0074
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0124 0.2769 0.3842
Schistosoma mansoni atypical protein kinase C 0.0124 0.2769 0.4166
Toxoplasma gondii AGC kinase 0.0363 0.9342 1
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0124 0.2769 0.3842
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0363 0.9342 0.9342
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1362 0.5
Trypanosoma cruzi Protein kinase B 0.0265 0.6647 1
Trichomonas vaginalis AGC family protein kinase 0.0027 0.0074 0.0074
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1362 1
Onchocerca volvulus 0.0036 0.0335 0.0464
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0241 0.5989 1
Trichomonas vaginalis ribosomal protein S6 kinase, 90kD, polypeptide, putative 0.0027 0.0074 0.0074
Echinococcus multilocularis Glutaredoxin protein 5 0.0239 0.5915 0.8207
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0122 0.2695 0.2695
Echinococcus granulosus arf GAP with coiled coil ANK repeat and PH 0.0024 0.000000041591 0.000000057704
Trichomonas vaginalis AGC family protein kinase 0.0027 0.0074 0.0074
Entamoeba histolytica protein kinase, putative 0.0363 0.9342 0.9342
Entamoeba histolytica p21-activated kinase 0.0027 0.0074 0.0074
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0335 0.0465
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0124 0.2769 0.3842
Echinococcus multilocularis protein kinase c iota type 0.0124 0.2769 0.3842
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0124 0.2769 0.3842
Trypanosoma cruzi Serine/threonine-protein kinase NEK21, putative 0.0027 0.0074 0.0111
Schistosoma mansoni serine/threonine-protein kinase 0.0265 0.6647 1
Echinococcus multilocularis protein kinase c epsilon type 0.0124 0.2769 0.3842
Trichomonas vaginalis 3-phosphoinositide dependent protein kinase-1, putative 0.0027 0.0074 0.0074
Trypanosoma brucei serine/threonine-protein kinase NrkA 0.0027 0.0074 0.0074
Trypanosoma cruzi serine/threonine-protein kinase NRKB, putative 0.0027 0.0074 0.0111
Echinococcus granulosus serine threonine protein kinase nrc 0.0241 0.5989 0.8309
Entamoeba histolytica PH domain containing protein kinase, putative 0.0027 0.0074 0.0074
Schistosoma mansoni survival motor neuron protein 0.0058 0.0946 0.1424
Trichomonas vaginalis AGC family protein kinase 0.0027 0.0074 0.0074
Trypanosoma brucei rac serine-threonine kinase, putative 0.0387 1 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1362 0.1889
Leishmania major serine/threonine-protein kinase a, putative 0.0027 0.0074 0.0543
Plasmodium vivax SET domain protein, putative 0.0036 0.0335 0.0559
Brugia malayi Pre-SET motif family protein 0.0036 0.0335 0.0335
Trichomonas vaginalis centaurin/arf, putative 0.0024 0.000000041591 0.000000041591
Brugia malayi hypothetical protein 0.0286 0.7208 0.7208
Trichomonas vaginalis AGC family protein kinase 0.0027 0.0074 0.0074
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0027 0.0074 0.0111
Trichomonas vaginalis AGC family protein kinase 0.0387 1 1
Echinococcus granulosus serine/threonine protein kinase 0.0265 0.6647 0.9222
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.3313 0.3313
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0124 0.2769 0.3842
Trichomonas vaginalis AGC family protein kinase 0.0027 0.0074 0.0074
Trypanosoma cruzi Serine/threonine-protein kinase NEK21, putative 0.0027 0.0074 0.0111
Schistosoma mansoni serine/threonine protein kinase 0.0124 0.2769 0.4166
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.7208 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0335 0.0504
Trichomonas vaginalis AGC family protein kinase 0.0027 0.0074 0.0074
Trichomonas vaginalis AGC family protein kinase 0.0027 0.0074 0.0074
Trichomonas vaginalis centaurin gamma, putative 0.0024 0.000000041591 0.000000041591
Echinococcus granulosus protein kinase c epsilon type 0.0124 0.2769 0.3842
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.3313 0.3313
Entamoeba histolytica protein kinase, putative 0.0027 0.0074 0.0074
Trichomonas vaginalis AGC family protein kinase 0.0027 0.0074 0.0074
Entamoeba histolytica ARF GTPase activating protein, putative 0.0024 0.000000041591 0.000000041591
Entamoeba histolytica PH domain containing protein kinase, putative 0.0265 0.6647 0.6647
Onchocerca volvulus 0.0286 0.7221 1
Trichomonas vaginalis AGC family protein kinase 0.0027 0.0074 0.0074
Trichomonas vaginalis AGC family protein kinase 0.0027 0.0074 0.0074
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0335 0.0504
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1362 0.5
Loa Loa (eye worm) AGC/AKT protein kinase 0.0387 1 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0335 0.0359
Leishmania major protein kinase, putative 0.0027 0.0074 0.0543
Trichomonas vaginalis AGC family protein kinase 0.0387 1 1
Entamoeba histolytica protein kinase, putative 0.0387 1 1
Trichomonas vaginalis AGC family protein kinase 0.0124 0.2769 0.2769
Trichomonas vaginalis AGC family protein kinase 0.0387 1 1
Leishmania major folate/biopterin transporter, putative 0.0027 0.0074 0.0543
Entamoeba histolytica protein kinase, putative 0.0387 1 1
Schistosoma mansoni serine/threonine-protein kinase 0.0265 0.6647 1
Schistosoma mansoni serine/threonine protein kinase 0.0124 0.2769 0.4166
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0241 0.5989 0.901
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0239 0.5915 0.8207
Trypanosoma cruzi NEK family Serine/threonine-protein kinase, putative 0.0027 0.0074 0.0111
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0124 0.2769 0.2769
Trichomonas vaginalis AGC family protein kinase 0.0027 0.0074 0.0074
Brugia malayi Pre-SET motif family protein 0.0251 0.6265 0.6265
Schistosoma mansoni serine/threonine protein kinase 0.0124 0.2769 0.4166
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0024 0.000000041591 0.000000041591
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1362 0.1889
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0124 0.2769 0.2769
Trichomonas vaginalis AGC family protein kinase 0.0387 1 1
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0239 0.5915 0.8207
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0241 0.5989 0.8309
Schistosoma mansoni serine/threonine protein kinase 0.0124 0.2769 0.4166
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1362 0.2049
Echinococcus multilocularis serine:threonine protein kinase N2 0.0124 0.2769 0.3842
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0024 0.000000041591 0.000000041591
Echinococcus granulosus nervana 2 0.0239 0.5915 0.8207
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.6265 0.6265
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0335 0.0465
Entamoeba histolytica hypothetical protein 0.0027 0.0074 0.0074
Brugia malayi Hr1 repeat family protein 0.0124 0.2769 0.2769
Loa Loa (eye worm) hypothetical protein 0.0036 0.0335 0.0335
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0241 0.5989 1
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1362 0.1458
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0335 0.0504
Trichomonas vaginalis AGC family protein kinase 0.0027 0.0074 0.0074
Echinococcus granulosus serine:threonine protein kinase N2 0.0124 0.2769 0.3842
Brugia malayi Protein kinase domain containing protein 0.0124 0.2769 0.2769
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0298 0.0414
Trypanosoma cruzi serine/threonine protein kinase, putative 0.0027 0.0074 0.0111
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0124 0.2769 0.2769
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0124 0.2769 0.2769
Echinococcus granulosus protein kinase C gamma type 0.0124 0.2769 0.3842
Trichomonas vaginalis AGC family protein kinase 0.0027 0.0074 0.0074
Loa Loa (eye worm) AGC/NDR protein kinase 0.0124 0.2769 0.2769
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.0027 0.0074 0.0543
Toxoplasma gondii protein kinase domain-containing protein 0.0027 0.0074 0.0079
Entamoeba histolytica protein kinase, putative 0.0027 0.0074 0.0074
Trypanosoma brucei Serine/threonine-protein kinase NEK21, putative 0.0027 0.0074 0.0074
Trichomonas vaginalis AGC family protein kinase 0.0027 0.0074 0.0074
Trichomonas vaginalis AGC family protein kinase 0.0387 1 1
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0241 0.5989 0.8309
Loa Loa (eye worm) hypothetical protein 0.0124 0.2769 0.2769
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.7208 1
Echinococcus multilocularis nervana 2 0.0239 0.5915 0.8207
Trypanosoma brucei protein kinase, putative 0.0027 0.0074 0.0074
Entamoeba histolytica PH domain containing protein kinase, putative 0.0265 0.6647 0.6647
Echinococcus granulosus protein kinase c iota type 0.0124 0.2769 0.3842
Leishmania major protein kinase, putative,serine/threonine protein kinase, putative 0.0027 0.0074 0.0543
Trichomonas vaginalis AGC family protein kinase 0.0387 1 1
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0265 0.6647 1
Echinococcus granulosus Glutaredoxin protein 5 0.0239 0.5915 0.8207
Echinococcus granulosus NDR protein kinase 0.0124 0.2769 0.3842
Trichomonas vaginalis AGC family protein kinase 0.0027 0.0074 0.0074
Echinococcus granulosus nervana 2 0.0239 0.5915 0.8207
Leishmania major protein kinase, putative 0.0027 0.0074 0.0543
Loa Loa (eye worm) hypothetical protein 0.0286 0.7208 0.7208
Entamoeba histolytica protein kinase, putative 0.0124 0.2769 0.2769

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.43423 uM PubChem BioAssay. Fluorescence-based cell-based high throughput dose response assay to identify agonists of the human trace amine associated receptor 1 (TAAR1). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 2.256 uM PubChem BioAssay. Counterscreen for agonists of the human trace amine associated receptor 1 (hTAAR1): Fluorescence-based cell-based high throughput dose response assay to identify hTAAR1 agonist that also desensitize TAAR1 receptor response. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 9.285 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 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) 13.1154 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) 15.8489 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) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 20.5878 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) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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 MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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