Detailed information for compound 1274693

Basic information

Technical information
  • TDR Targets ID: 1274693
  • Name: ethyl 4-[4-(6,8-dimethyl-2-oxopyrido[2,3-b][1 ,4]thiazin-1-yl)butanoylamino]piperidine-1-ca rboxylate
  • MW: 434.552 | Formula: C21H30N4O4S
  • H donors: 1 H acceptors: 4 LogP: 2.05 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)N1CCC(CC1)NC(=O)CCCN1C(=O)CSc2c1c(C)cc(n2)C
  • InChi: 1S/C21H30N4O4S/c1-4-29-21(28)24-10-7-16(8-11-24)23-17(26)6-5-9-25-18(27)13-30-20-19(25)14(2)12-15(3)22-20/h12,16H,4-11,13H2,1-3H3,(H,23,26)
  • InChiKey: KWAGVRFOAUYTAZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 4-[4-(6,8-dimethyl-2-oxo-pyrido[2,3-b][1,4]thiazin-1-yl)butanoylamino]piperidine-1-carboxylate
  • 4-[[4-(6,8-dimethyl-2-oxo-1-pyrido[2,3-b][1,4]thiazinyl)-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester
  • 4-[4-(2-keto-6,8-dimethyl-pyrido[2,3-b][1,4]thiazin-1-yl)butanoylamino]piperidine-1-carboxylic acid ethyl ester
  • ChemDiv3_015500
  • MLS000093893
  • SMR000029507
  • ethyl 4-{[4-(6,8-dimethyl-2-oxo-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazin-1-yl)butanoyl]amino}piperidine-1-carboxylate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
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
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
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
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
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
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.011 0.1117 0.2286
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0067 0.0434 0.0362
Loa Loa (eye worm) CYP4Cod1 0.0231 0.3051 0.2999
Echinococcus multilocularis nAChR subunit 0.0067 0.0434 0.2602
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.011 0.1117 0.262
Loa Loa (eye worm) hypothetical protein 0.0067 0.0434 0.0362
Echinococcus granulosus glycine receptor subunit alpha 1 0.0124 0.1353 0.9261
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.011 0.1117 0.262
Onchocerca volvulus 0.0067 0.0434 0.1437
Onchocerca volvulus 0.0124 0.1353 1
Leishmania major lanosterol 14-alpha-demethylase, putative 0.011 0.1117 0.35
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0245 0.1234
Loa Loa (eye worm) hypothetical protein 0.0124 0.1353 0.1287
Schistosoma mansoni lipoxygenase 0.0091 0.0824 0.5434
Brugia malayi Cytochrome P450 family protein 0.0395 0.5689 0.5657
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.011 0.1117 0.2286
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0124 0.1353 0.1287
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0124 0.1353 0.1287
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0124 0.1353 0.9261
Loa Loa (eye worm) hypothetical protein 0.0124 0.1353 0.1287
Loa Loa (eye worm) hypothetical protein 0.0057 0.028 0.0206
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0329 0.4632 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0131 0.1455 1
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0124 0.1353 0.9261
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0231 0.3051 0.6532
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0057 0.028 0.1484
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0124 0.1353 0.9261
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.011 0.1117 0.262
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.011 0.1117 0.35
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0124 0.1353 0.9261
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0124 0.1353 0.9261
Brugia malayi hypothetical protein 0.0057 0.028 0.0206
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0245 0.0172
Schistosoma mansoni acetylcholine receptor subunit beta 0.0057 0.028 0.1484
Schistosoma mansoni nAChR subunit 0.0124 0.1353 0.9261
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.011 0.1117 0.35
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.011 0.1117 0.262
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.011 0.1117 0.2286
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.011 0.1117 0.262
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0124 0.1353 0.9261
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.011 0.1117 0.2286
Loa Loa (eye worm) hypothetical protein 0.0124 0.1353 0.1287
Onchocerca volvulus 0.0124 0.1353 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.1353 0.1287
Leishmania major cytochrome p450-like protein 0.011 0.1117 0.35
Brugia malayi Cation transporter family protein 0.0124 0.1353 0.1287
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0124 0.1353 0.1287
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0124 0.1353 0.9261
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0124 0.1353 0.1287
Trypanosoma cruzi cytochrome p450-like protein, putative 0.011 0.1117 0.35
Echinococcus granulosus cytochrome P450 2K1 0.011 0.1117 0.7551
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0067 0.0434 0.2602
Schistosoma mansoni neurotransmitter gated ion channel 0.0067 0.0434 0.2602
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0245 0.1234
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.011 0.1117 0.2286
Schistosoma mansoni nAChR subunit 0.0124 0.1353 0.9261
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0124 0.1353 0.1287
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0057 0.028 0.0206
Echinococcus granulosus nAChR subunit 0.0124 0.1353 0.9261
Trypanosoma cruzi cytochrome P450, putative 0.0231 0.3051 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.1353 0.1287
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0057 0.028 0.0206
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.011 0.1117 0.262
Loa Loa (eye worm) hypothetical protein 0.0124 0.1353 0.1287
Loa Loa (eye worm) hypothetical protein 0.0057 0.028 0.0206
Loa Loa (eye worm) hypothetical protein 0.0124 0.1353 0.1287
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0124 0.1353 0.9261
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0329 0.4632 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.028 0.0206
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.011 0.1117 0.2286
Loa Loa (eye worm) hypothetical protein 0.0067 0.0434 0.0362
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0124 0.1353 0.9261
Loa Loa (eye worm) hypothetical protein 0.0057 0.028 0.0206
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0124 0.1353 0.9261
Schistosoma mansoni nAChR subunit 0.0057 0.028 0.1484
Brugia malayi Cytochrome P450 family protein 0.0231 0.3051 0.2999
Mycobacterium leprae putative cytochrome p450 0.011 0.1117 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0067 0.0434 0.0362
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.011 0.1117 0.2286
Schistosoma mansoni nAChR subunit 0.0124 0.1353 0.9261
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0075 0.5
Loa Loa (eye worm) LGC-31 protein 0.0124 0.1353 0.1287
Schistosoma mansoni nAChR subunit 0.0124 0.1353 0.9261
Loa Loa (eye worm) hypothetical protein 0.0057 0.028 0.0206
Loa Loa (eye worm) hypothetical protein 0.0067 0.0434 0.0362
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.011 0.1117 0.262
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.011 0.1117 0.2286
Loa Loa (eye worm) hypothetical protein 0.0057 0.028 0.0206
Schistosoma mansoni lipoxygenase 0.0131 0.1455 1
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0124 0.1353 0.9261
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0075 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0245 0.1234
Loa Loa (eye worm) hypothetical protein 0.0665 1 1
Schistosoma mansoni cytochrome P450 0.011 0.1117 0.7551
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.011 0.1117 0.2286
Schistosoma mansoni neurotransmitter gated ion channel 0.0057 0.028 0.1484
Loa Loa (eye worm) GABA receptor subunit 0.0067 0.0434 0.0362
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0131 0.1455 1
Schistosoma mansoni hypothetical protein 0.011 0.1117 0.7551
Loa Loa (eye worm) hypothetical protein 0.0057 0.028 0.0206
Schistosoma mansoni nAChR subunit 0.0124 0.1353 0.9261
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.011 0.1117 0.262
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0124 0.1353 0.1287
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.011 0.1117 0.262
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0067 0.0434 0.2602
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0124 0.1353 0.9261
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0245 0.1234
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0057 0.028 0.0206
Brugia malayi hypothetical protein 0.0057 0.028 0.0206
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.011 0.1117 0.262
Leishmania major cytochrome p450-like protein 0.011 0.1117 0.35
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.011 0.1117 0.262
Schistosoma mansoni nAChR subunit 0.0124 0.1353 0.9261
Loa Loa (eye worm) hypothetical protein 0.0057 0.028 0.0206
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0057 0.028 0.1484
Onchocerca volvulus 0.0124 0.1353 1
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0124 0.1353 0.9261
Loa Loa (eye worm) hypothetical protein 0.0124 0.1353 0.1287
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.011 0.1117 0.2286
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0245 0.0172
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.011 0.1117 0.2286
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.011 0.1117 0.2286
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0124 0.1353 0.1287
Loa Loa (eye worm) hypothetical protein 0.0067 0.0434 0.0362
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0057 0.028 0.0206
Loa Loa (eye worm) hypothetical protein 0.0124 0.1353 0.1287
Echinococcus granulosus nAChR subunit 0.0067 0.0434 0.2602
Loa Loa (eye worm) hypothetical protein 0.0124 0.1353 0.1287
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0057 0.028 0.0206
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0124 0.1353 0.1287
Loa Loa (eye worm) ACC-1 protein 0.0124 0.1353 0.1287
Onchocerca volvulus 0.0067 0.0434 0.1437
Loa Loa (eye worm) hypothetical protein 0.0121 0.1296 0.123
Loa Loa (eye worm) cytochrome P450 family protein 0.0231 0.3051 0.2999
Loa Loa (eye worm) hypothetical protein 0.0057 0.028 0.0206
Brugia malayi cytochrome P450 0.011 0.1117 0.105
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.011 0.1117 0.262
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0124 0.1353 0.9261
Brugia malayi Cytochrome P450 family protein 0.011 0.1117 0.105
Loa Loa (eye worm) hypothetical protein 0.0124 0.1353 0.1287
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0124 0.1353 0.9261
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0075 0.5
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0067 0.0434 0.0362
Loa Loa (eye worm) hypothetical protein 0.0124 0.1353 0.1287
Trypanosoma brucei cytochrome P450, putative 0.0231 0.3051 1
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0124 0.1353 0.9261
Echinococcus multilocularis glycine receptor subunit beta 0.0124 0.1353 0.9261
Loa Loa (eye worm) hypothetical protein 0.0124 0.1353 0.1287
Brugia malayi hypothetical protein 0.0057 0.028 0.0206
Schistosoma mansoni nAChR subunit 0.0124 0.1353 0.9261
Loa Loa (eye worm) acetylcholine receptor protein 0.0057 0.028 0.0206
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0124 0.1353 0.9261
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.011 0.1117 0.262
Loa Loa (eye worm) hypothetical protein 0.0057 0.028 0.0206
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0124 0.1353 0.9261
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.011 0.1117 0.2286
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0057 0.028 0.1484
Toxoplasma gondii cytochrome p450 superfamily protein 0.011 0.1117 1
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0124 0.1353 0.9261
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0057 0.028 0.0206
Brugia malayi hypothetical protein 0.0057 0.028 0.0206
Entamoeba histolytica hypothetical protein 0.0067 0.0434 1
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0124 0.1353 0.1287
Loa Loa (eye worm) cytochrome P450 family protein 0.0231 0.3051 0.2999
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.011 0.1117 0.2286
Loa Loa (eye worm) hypothetical protein 0.0124 0.1353 0.1287
Onchocerca volvulus 0.0124 0.1353 1
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.011 0.1117 0.262
Loa Loa (eye worm) hypothetical protein 0.0067 0.0434 0.0362
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.011 0.1117 0.2286
Schistosoma mansoni acetylcholine receptor-related 0.0057 0.028 0.1484
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0245 0.1234
Brugia malayi excitatory GABA receptor EXP-1A 0.0124 0.1353 0.1287
Loa Loa (eye worm) hypothetical protein 0.0124 0.1353 0.1287
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0245 0.1234
Leishmania major cytochrome p450-like protein 0.0231 0.3051 1
Echinococcus multilocularis 0.011 0.1117 0.7551
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0057 0.028 0.1484
Echinococcus granulosus glycine receptor subunit alpha 1 0.0124 0.1353 0.9261
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0306 0.4261 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0124 0.1353 0.9261
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0124 0.1353 0.1287
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0124 0.1353 0.1287
Schistosoma mansoni neurotransmitter gated ion channel 0.0057 0.028 0.1484
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.011 0.1117 0.262
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.011 0.1117 0.2286
Echinococcus multilocularis nAChR subunit 0.0124 0.1353 0.9261
Loa Loa (eye worm) hypothetical protein 0.0607 0.9081 0.9074
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0057 0.028 0.0206
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0057 0.028 0.1484
Brugia malayi Cation transporter family protein 0.0124 0.1353 0.1287
Loa Loa (eye worm) hypothetical protein 0.0124 0.1353 0.1287
Loa Loa (eye worm) hypothetical protein 0.0057 0.028 0.0206
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.011 0.1117 0.262
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0124 0.1353 0.9261
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.011 0.1117 0.2286
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0124 0.1353 0.1287
Brugia malayi hypothetical protein 0.0057 0.028 0.0206
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0124 0.1353 0.9261
Echinococcus multilocularis glycine receptor subunit beta 0.0124 0.1353 0.9261
Loa Loa (eye worm) hypothetical protein 0.0067 0.0434 0.0362
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.011 0.1117 0.262
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0124 0.1353 0.9261
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0124 0.1353 0.1287
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.011 0.1117 0.2286
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.011 0.1117 0.262
Loa Loa (eye worm) hypothetical protein 0.0124 0.1353 0.1287
Loa Loa (eye worm) hypothetical protein 0.0057 0.028 0.0206
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0124 0.1353 0.1287
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.011 0.1117 0.2286
Loa Loa (eye worm) hypothetical protein 0.0067 0.0434 0.0362
Loa Loa (eye worm) hypothetical protein 0.0057 0.028 0.0206
Brugia malayi Cation transporter family protein 0.0124 0.1353 0.1287
Onchocerca volvulus Putative nachr subunit 0.0124 0.1353 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0124 0.1353 0.1287
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.011 0.1117 0.35
Loa Loa (eye worm) cytochrome P450 0.011 0.1117 0.105
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0124 0.1353 0.1287
Schistosoma mansoni nAChR subunit 0.0057 0.028 0.1484
Loa Loa (eye worm) ACC-1 protein 0.0124 0.1353 0.1287
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0124 0.1353 0.1287
Brugia malayi Cytochrome P450 family protein 0.0231 0.3051 0.2999
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.011 0.1117 0.262
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.011 0.1117 0.2286
Mycobacterium leprae Conserved hypothetical protein 0.011 0.1117 1
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0124 0.1353 0.1287
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.011 0.1117 0.262
Loa Loa (eye worm) hypothetical protein 0.0067 0.0434 0.0362
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0067 0.0434 0.0362
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0124 0.1353 0.1287
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0075 0.5
Loa Loa (eye worm) hypothetical protein 0.0057 0.028 0.0206
Echinococcus granulosus glycine receptor subunit alpha 1 0.0124 0.1353 0.9261
Onchocerca volvulus 0.0124 0.1353 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0124 0.1353 0.1287
Loa Loa (eye worm) hypothetical protein 0.0124 0.1353 0.1287
Onchocerca volvulus 0.0124 0.1353 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.028 0.0206
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0124 0.1353 0.9261
Echinococcus granulosus glycine receptor subunit beta 0.0124 0.1353 0.9261
Trypanosoma cruzi cytochrome P450, putative 0.0231 0.3051 1
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0057 0.028 0.0206
Echinococcus granulosus glycine receptor subunit beta 0.0124 0.1353 0.9261
Loa Loa (eye worm) cytochrome P450 family protein 0.0395 0.5689 0.5657
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0245 0.1234
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0124 0.1353 0.1287

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0224 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 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) 11.2202 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) 28.1838 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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