Detailed information for compound 1377524

Basic information

Technical information
  • TDR Targets ID: 1377524
  • Name: 4-(1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thi azol-2-yl)butanamide
  • MW: 317.429 | Formula: C15H15N3OS2
  • H donors: 1 H acceptors: 3 LogP: 3.6 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ncc(s1)C)CCCc1nc2c(s1)cccc2
  • InChi: 1S/C15H15N3OS2/c1-10-9-16-15(20-10)18-13(19)7-4-8-14-17-11-5-2-3-6-12(11)21-14/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,18,19)
  • InChiKey: MWYJTJSJYKOZSD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(1,3-benzothiazol-2-yl)-N-(5-methylthiazol-2-yl)butanamide
  • 4-(1,3-benzothiazol-2-yl)-N-(5-methyl-2-thiazolyl)butanamide
  • 4-(1,3-benzothiazol-2-yl)-N-(5-methylthiazol-2-yl)butyramide
  • MLS000568842
  • SMR000154827
  • T5608130
  • ZINC03329769

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens regulator of G-protein signaling 4 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Homo sapiens nuclear receptor subfamily 2, group E, member 3 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Herpes simplex virus (type 1 / strain 17) Alpha trans-inducing protein (VP16) Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus expressed protein Get druggable targets OG5_141764 All targets in OG5_141764
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_135311 All targets in OG5_135311
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis expressed protein Get druggable targets OG5_141764 All targets in OG5_141764
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi photoreceptor-specific nuclear receptor Get druggable targets OG5_135311 All targets in OG5_135311
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Brugia malayi Nuclear hormone receptor family member nhr-49 nuclear receptor subfamily 2, group E, member 3 410 aa 384 aa 28.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0017 0 0.5
Brugia malayi PXA domain containing protein 0.0023 0.014 0.0216
Schistosoma mansoni hypothetical protein 0.0205 0.4324 1
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0017 0 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0308 0.0476
Brugia malayi hypothetical protein 0.002 0.0059 0.0091
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0308 1
Schistosoma mansoni z-protein (S1r protein) 0.0023 0.014 0.0323
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0017 0 0.5
Brugia malayi hypothetical protein 0.0023 0.014 0.0216
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0308 1
Echinococcus granulosus beta-adrenergic receptor kinase 0.0023 0.014 0.014
Echinococcus granulosus GPCR family 2 0.0019 0.0045 0.0045
Echinococcus granulosus regulator of G protein signaling 3 0.0023 0.014 0.014
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0994 0.1539
Echinococcus granulosus Regulator of G protein signaling 20 0.0023 0.014 0.014
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0017 0 0.5
Echinococcus multilocularis lamin 0.0033 0.0357 0.0357
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0023 0.014 0.0323
Schistosoma mansoni hypothetical protein 0.0041 0.0555 0.1283
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0017 0 0.5
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0023 0.014 0.014
Echinococcus multilocularis regulator of G protein signaling 7 0.0023 0.014 0.014
Trypanosoma brucei cytochrome P450, putative 0.0028 0.0244 0.7928
Schistosoma mansoni lamin 0.0033 0.0357 0.0825
Brugia malayi regulator of G-protein signaling rgs-7 0.0023 0.014 0.0216
Entamoeba histolytica hypothetical protein 0.0023 0.014 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0357 0.0552
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0357 0.0552
Schistosoma mansoni hypothetical protein 0.0019 0.0045 0.0104
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.014 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0308 1
Schistosoma mansoni hypothetical protein 0.0019 0.0045 0.0104
Loa Loa (eye worm) PXA domain-containing protein 0.0023 0.014 0.0216
Echinococcus multilocularis geminin 0.0205 0.4324 0.4324
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.0244 0.7928
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0308 1
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0023 0.014 0.0216
Echinococcus multilocularis musashi 0.0033 0.0357 0.0357
Loa Loa (eye worm) hypothetical protein 0.0023 0.014 0.0216
Loa Loa (eye worm) hypothetical protein 0.0019 0.0045 0.007
Schistosoma mansoni intermediate filament proteins 0.0033 0.0357 0.0825
Echinococcus granulosus geminin 0.0205 0.4324 0.4324
Mycobacterium leprae Conserved hypothetical protein 0.0017 0 0.5
Echinococcus multilocularis Regulator of G protein signaling 20 0.0023 0.014 0.014
Echinococcus multilocularis axis inhibition protein axin 0.0023 0.014 0.014
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.293 0.4535
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0017 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0017 0 0.5
Loa Loa (eye worm) CYP4Cod1 0.0028 0.0244 0.0378
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.014 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0308 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0045 0.0045
Brugia malayi Regulator of G protein signaling domain containing protein 0.0023 0.014 0.0216
Brugia malayi Cytochrome P450 family protein 0.0063 0.1063 0.1645
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0017 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.0343 0.0531
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0017 0 0.5
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0023 0.014 0.0216
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0023 0.014 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.014 0.0323
Brugia malayi intermediate filament protein 0.0033 0.0357 0.0552
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.014 0.0323
Leishmania major cytochrome p450-like protein 0.0028 0.0244 0.7928
Entamoeba histolytica hypothetical protein 0.0023 0.014 0.5
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0023 0.014 0.0216
Echinococcus multilocularis GPCR, family 2 0.0019 0.0045 0.0045
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0028 0.0244 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0308 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0045 0.007
Echinococcus multilocularis beta adrenergic receptor kinase 0.0023 0.014 0.014
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0017 0 0.5
Entamoeba histolytica hypothetical protein 0.0023 0.014 0.5
Echinococcus multilocularis regulator of G protein signaling 3 0.0023 0.014 0.014
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0045 0.0045
Schistosoma mansoni axis inhibition protein axin 0.0023 0.014 0.0323
Echinococcus granulosus lamin 0.0033 0.0357 0.0357
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0994 0.1539
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0244 0.0378
Schistosoma mansoni axis inhibition protein axin 0.0023 0.014 0.0323
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0017 0 0.5
Mycobacterium leprae putative cytochrome p450 0.0017 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0017 0 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0045 0.0045
Brugia malayi PXA domain containing protein 0.0023 0.014 0.0216
Brugia malayi Cytochrome P450 family protein 0.0028 0.0244 0.0378
Loa Loa (eye worm) hypothetical protein 0.0297 0.6461 1
Echinococcus granulosus regulator of G protein signaling 7 0.0023 0.014 0.014
Schistosoma mansoni regulator of G protein signaling 0.0023 0.014 0.0323
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0023 0.014 0.0323
Echinococcus multilocularis expressed protein 0.0451 1 1
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0017 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.014 0.0216
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0045 0.007
Echinococcus granulosus intermediate filament protein 0.0033 0.0357 0.0357
Schistosoma mansoni regulator of G protein signaling 0.0023 0.014 0.0323
Brugia malayi MH2 domain containing protein 0.0144 0.293 0.4535
Loa Loa (eye worm) hypothetical protein 0.006 0.0994 0.1539
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0023 0.014 0.0216
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0308 0.5
Brugia malayi A-kinase anchor protein 10, precursor 0.0023 0.014 0.0216
Echinococcus multilocularis regulator of G protein signaling 7 0.0023 0.014 0.014
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0045 0.007
Schistosoma mansoni regulator of G protein signaling 0.0023 0.014 0.0323
Loa Loa (eye worm) cytochrome P450 family protein 0.0063 0.1063 0.1645
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0017 0 0.5
Brugia malayi hypothetical protein 0.003 0.0308 0.0476
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0357 0.0552
Loa Loa (eye worm) hypothetical protein 0.0033 0.0357 0.0552
Brugia malayi Cytochrome P450 family protein 0.0028 0.0244 0.0378
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0017 0 0.5
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0023 0.014 0.0323
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0017 0 0.5
Echinococcus granulosus lamin dm0 0.0033 0.0357 0.0357
Schistosoma mansoni hypothetical protein 0.0019 0.0045 0.0104
Schistosoma mansoni regulator of G protein signaling 0.0023 0.014 0.0323
Schistosoma mansoni regulator of G protein signaling 0.0023 0.014 0.0323
Brugia malayi hypothetical protein 0.0023 0.014 0.0216
Loa Loa (eye worm) hypothetical protein 0.0023 0.014 0.0216
Brugia malayi photoreceptor-specific nuclear receptor 0.0297 0.6461 1
Schistosoma mansoni lamin 0.0033 0.0357 0.0825
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0017 0 0.5
Loa Loa (eye worm) RGS-3 protein 0.0023 0.014 0.0216
Echinococcus multilocularis regulator of G protein signaling 3 0.0023 0.014 0.014
Echinococcus granulosus axis inhibition protein axin 0.0023 0.014 0.014
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0023 0.014 0.014
Echinococcus multilocularis axis inhibition protein axin 0.0023 0.014 0.014
Loa Loa (eye worm) hypothetical protein 0.0041 0.0555 0.0859
Echinococcus multilocularis regulator of G protein signaling 0.0023 0.014 0.014
Loa Loa (eye worm) hypothetical protein 0.0023 0.014 0.0216
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0045 0.0045
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0017 0 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.293 0.4535
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.014 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0555 0.0859
Echinococcus multilocularis lamin dm0 0.0033 0.0357 0.0357
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.014 0.5
Echinococcus granulosus regulator of G protein signaling 7 0.0023 0.014 0.014
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.014 0.0323
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0244 0.0378
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.014 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0017 0 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0045 0.0104
Loa Loa (eye worm) hypothetical protein 0.0023 0.014 0.0216
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.0244 0.7928
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0994 0.1539
Echinococcus granulosus axis inhibition protein axin 0.0023 0.014 0.014
Echinococcus granulosus regulator of G protein signaling 3 0.0023 0.014 0.014
Leishmania major hypothetical protein, conserved 0.003 0.0308 1
Schistosoma mansoni hypothetical protein 0.0205 0.4324 1
Brugia malayi Regulator of G protein signaling domain containing protein 0.0023 0.014 0.0216
Brugia malayi regulator of G-protein signaling egl-10 0.0023 0.014 0.0216
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0008 0.0013
Onchocerca volvulus 0.0033 0.0357 0.5
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0008 0.0013
Loa Loa (eye worm) hypothetical protein 0.0023 0.014 0.0216
Onchocerca volvulus 0.0033 0.0357 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.014 0.5
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0017 0 0.5

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 1.995262315 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 3.981071706 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 5.623413252 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 7.943282347 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
EC50 (functional) > 91.17 uM PubChem BioAssay. Luminescence-based cell-based high throughput dose response assay to identify activators of the function of SWI/SNF related, matrix associated, actin dependent regulator of chromatin, subfamily a, member 2 (SMARCA2, BRM). (Class of assay: confirmatory) ChEMBL. No reference
EC50 (functional) 167.158 uM PubChem BioAssay. Luminescence-based cell-based high throughput dose response assay to identify activators of Transthyretin (TTR) transcription. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 0.5631 uM PubChem BioAssay. Luminescence-based cell-based high throughput dose response assay for agonists of nuclear receptor subfamily 2, group E, member 3 (NR2E3). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 5.068 uM PubChem BioAssay. Counterscreen for agonists of nuclear receptor subfamily 2, group E, member 3 (NR2E3):Luminescence-based cell-based high throughput dose response assay to identify inhibitors of the Herpes Virus Virion Protein 16 (VP16). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 67.547 uM PubChem BioAssay. Counterscreen for agonists of the daf-12 abnormal Dauer Formation: Luminescence-based cell-based screening assay to identify agonists of the Liver-X-Receptor (LXR).. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 167.158 uM PubChem BioAssay. Counterscreen for activators of Transthyretin (TTR) transcription: Luminescence-based cell-based high throughput dose response assay to identify inhibitors of Transthyretin (TTR) transcription in HuH7 hepatoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.7079 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 18.3564 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) 18.526 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) 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) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.7781 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) 25.1189 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) 25.929 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 for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) 37.933 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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