Detailed information for compound 1376137

Basic information

Technical information
  • TDR Targets ID: 1376137
  • Name: [5-methyl-4-(methyl-phenylamino)thieno[5,4-d] pyrimidin-6-yl]-(4-methylpiperidin-1-yl)metha none
  • MW: 380.506 | Formula: C21H24N4OS
  • H donors: 0 H acceptors: 3 LogP: 5.01 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CCN(CC1)C(=O)c1sc2c(c1C)c(ncn2)N(c1ccccc1)C
  • InChi: 1S/C21H24N4OS/c1-14-9-11-25(12-10-14)21(26)18-15(2)17-19(22-13-23-20(17)27-18)24(3)16-7-5-4-6-8-16/h4-8,13-14H,9-12H2,1-3H3
  • InChiKey: LDWQLYFPFGGNTG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [5-methyl-4-(methyl-phenyl-amino)thieno[5,4-d]pyrimidin-6-yl]-(4-methyl-1-piperidyl)methanone
  • [5-methyl-4-(methyl-phenylamino)-6-thieno[5,4-d]pyrimidinyl]-(4-methyl-1-piperidinyl)methanone
  • [5-methyl-4-(methyl-phenyl-amino)thieno[5,4-d]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
  • Oprea1_505685
  • SMR000131681
  • ChemDiv1_016936
  • MLS000521273

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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 TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0024 0.0077 0.2787
Brugia malayi hypothetical protein 0.0148 0.1361 1
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0024 0.0077 0.2787
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0397 0.036
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0397 0.2711
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0275 0.5
Brugia malayi Cytochrome P450 family protein 0.0033 0.0166 0.0962
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0275 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0021 0.0039 0.142
Loa Loa (eye worm) hypothetical protein 0.0043 0.0275 0.1787
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0033 0.0166 0.6042
Brugia malayi beta-lactamase family protein 0.0043 0.0275 0.1787
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0275 1
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0024 0.0077 0.2787
Mycobacterium ulcerans lipase LipD 0.0043 0.0275 1
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0024 0.0077 0.2787
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0275 0.1016
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0024 0.0077 0.0283
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0618 0.0582
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0024 0.0077 0.2787
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0275 0.1016
Onchocerca volvulus Huntingtin homolog 0.0148 0.1361 1
Mycobacterium leprae putative cytochrome p450 0.0024 0.0077 0.1593
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0024 0.0077 0.0283
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0275 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0618 1
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0024 0.0077 0.2787
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0618 0.4383
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0021 0.0039 0.142
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0024 0.0077 0.0283
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0021 0.0039 0.142
Loa Loa (eye worm) hypothetical protein 0.0043 0.0275 0.1787
Onchocerca volvulus 0.0043 0.0275 0.1474
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0024 0.0077 0.0283
Toxoplasma gondii cytochrome p450 superfamily protein 0.0024 0.0077 0.0125
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0275 0.1016
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0024 0.0077 0.0283
Brugia malayi Cytochrome P450 family protein 0.0099 0.0857 0.6189
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0024 0.0077 0.2787
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0024 0.0077 0.0283
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0024 0.0077 0.0283
Mycobacterium ulcerans oxidoreductase 0.0021 0.0039 0.142
Mycobacterium ulcerans beta-lactamase 0.0043 0.0275 1
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0021 0.0039 0.142
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0021 0.0039 0.0064
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0024 0.0077 0.2787
Leishmania major hypothetical protein, conserved 0.0043 0.0275 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0618 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0275 0.1016
Loa Loa (eye worm) hypothetical protein 0.0148 0.1361 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0021 0.0039 0.142
Leishmania major cytochrome p450-like protein 0.0033 0.0166 0.6042
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0397 0.036
Leishmania major cytochrome p450-like protein 0.0024 0.0077 0.2787
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0275 1
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0024 0.0077 0.2787
Plasmodium vivax beta-hydroxyacyl-ACP dehydratase precursor, putative 0.0222 0.2128 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0275 0.1016
Loa Loa (eye worm) cytochrome P450 0.0024 0.0077 0.0285
Schistosoma mansoni hypothetical protein 0.0043 0.0275 0.4071
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0618 1
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0024 0.0077 0.2787
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0275 0.5
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0024 0.0077 0.2787
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0024 0.0077 0.2787
Loa Loa (eye worm) hypothetical protein 0.0043 0.0275 0.1787
Mycobacterium ulcerans hypothetical protein 0.0043 0.0275 1
Mycobacterium ulcerans short chain dehydrogenase 0.0021 0.0039 0.142
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0275 0.113
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0275 1
Brugia malayi beta-lactamase 0.0043 0.0275 0.1787
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0024 0.0077 0.2787
Loa Loa (eye worm) CYP4Cod1 0.0033 0.0166 0.0962
Loa Loa (eye worm) hypothetical protein 0.0148 0.1361 1
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0024 0.0077 0.0283
Toxoplasma gondii beta-hydroxyacyl-acyl carrier protein dehydratase (FABZ) 0.0222 0.2128 0.3471
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.0021 0.0039 0.0144
Brugia malayi Cytochrome P450 family protein 0.0033 0.0166 0.0962
Onchocerca volvulus Huntingtin homolog 0.0148 0.1361 1
Onchocerca volvulus 0.0043 0.0275 0.1474
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0024 0.0077 0.2787
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0618 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0397 0.2711
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0275 0.5
Echinococcus granulosus cytochrome P450 2K1 0.0024 0.0077 0.0649
Schistosoma mansoni cytochrome P450 0.0024 0.0077 0.0649
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0021 0.0039 0.142
Wolbachia endosymbiont of Brugia malayi (3R)-hydroxymyristoyl-ACP dehydratase 0.0222 0.2128 1
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0024 0.0077 0.2787
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0024 0.0077 0.0283
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0275 0.1787
Loa Loa (eye worm) hypothetical protein 0.0043 0.0275 0.1787
Trichomonas vaginalis esterase, putative 0.0043 0.0275 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0397 0.6186
Echinococcus multilocularis 0.0024 0.0077 0.0038
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0397 0.6186
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0275 0.1016
Loa Loa (eye worm) cytochrome P450 family protein 0.0099 0.0857 0.6189
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0275 0.1016
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0024 0.0077 0.0283
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0024 0.0077 0.0283
Onchocerca volvulus 0.0043 0.0275 0.1474
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0024 0.0077 0.2787
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0275 0.4071
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0021 0.0039 0.142
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0275 0.0237
Echinococcus granulosus tar DNA binding protein 0.0076 0.0618 1
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0024 0.0077 0.0283
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0021 0.0039 0.142
Mycobacterium ulcerans short chain dehydrogenase 0.0021 0.0039 0.142
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0275 1
Leishmania major cytochrome p450-like protein 0.0024 0.0077 0.2787
Loa Loa (eye worm) hypothetical protein 0.0043 0.0275 0.1787
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0275 0.4071
Loa Loa (eye worm) cytochrome P450 family protein 0.0033 0.0166 0.0962
Loa Loa (eye worm) cytochrome P450 family protein 0.0033 0.0166 0.0962
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0024 0.0077 0.2787
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0024 0.0077 0.0283
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0275 0.4077
Trypanosoma cruzi cytochrome P450, putative 0.0033 0.0166 0.6042
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0275 0.5
Mycobacterium tuberculosis Conserved protein 0.0043 0.0275 0.1016
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0275 0.0237
Entamoeba histolytica hypothetical protein 0.0043 0.0275 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0275 0.4077
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0024 0.0077 0.0283
Loa Loa (eye worm) beta-lactamase 0.0043 0.0275 0.1787
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0618 0.4383
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0397 0.6186
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0024 0.0077 0.0283
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0024 0.0077 0.0283
Brugia malayi beta-lactamase family protein 0.0043 0.0275 0.1787
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0397 0.6186
Trypanosoma cruzi cytochrome P450, putative 0.0033 0.0166 0.6042
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0275 1
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0275 0.1016
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0024 0.0077 0.2787
Brugia malayi hypothetical protein 0.0043 0.0275 0.1784
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0021 0.0039 0.142
Entamoeba histolytica hypothetical protein 0.0043 0.0275 1
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0021 0.0039 0.142
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0024 0.0077 0.2787
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0397 0.6186
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0024 0.0077 0.0283
Loa Loa (eye worm) hypothetical protein 0.0043 0.0275 0.1787
Entamoeba histolytica hypothetical protein 0.0043 0.0275 1
Mycobacterium leprae Probable lipase LipE 0.0043 0.0275 1
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0024 0.0077 0.0283
Brugia malayi TAR-binding protein 0.0076 0.0618 0.4383
Mycobacterium leprae Conserved hypothetical protein 0.0024 0.0077 0.1593
Brugia malayi cytochrome P450 0.0024 0.0077 0.0285
Toxoplasma gondii ABC1 family protein 0.0043 0.0275 0.0449
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0024 0.0077 0.2787
Chlamydia trachomatis 3-hydroxyacyl-ACP dehydratase 0.0222 0.2128 1
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0024 0.0077 0.2787
Plasmodium falciparum beta-hydroxyacyl-ACP dehydratase 0.0222 0.2128 1
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0024 0.0077 0.2787
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0021 0.0039 0.142
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0024 0.0077 0.2787
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0618 1
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0024 0.0077 0.2787
Schistosoma mansoni hypothetical protein 0.0024 0.0077 0.0649
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0618 0.4383
Trypanosoma brucei cytochrome P450, putative 0.0033 0.0166 0.6042
Entamoeba histolytica hypothetical protein 0.0043 0.0275 1
Brugia malayi Cytochrome P450 family protein 0.0024 0.0077 0.0285
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0275 0.4077
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0024 0.0077 0.0283
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0024 0.0077 0.0283
Mycobacterium ulcerans short chain dehydrogenase 0.0021 0.0039 0.142
Brugia malayi RNA binding protein 0.0076 0.0618 0.4383
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.271 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.0618 0.4383
Mycobacterium tuberculosis Conserved protein 0.0043 0.0275 0.1016
Toxoplasma gondii 1,3-beta-glucan synthase component protein 0.0607 0.6131 1
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0024 0.0077 0.2787
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0275 0.1787

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 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) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] 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) 9.285 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) 11.2202 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 18.3564 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 22.3872 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) 25.929 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 (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] 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 Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 35.4813 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 630.9573 uM PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991] 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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