Detailed information for compound 1125010

Basic information

Technical information
  • TDR Targets ID: 1125010
  • Name: N-(2-phenylpropyl)-3-pyrrol-1-ylthieno[5,4-b] pyridine-2-carboxamide
  • MW: 361.46 | Formula: C21H19N3OS
  • H donors: 1 H acceptors: 2 LogP: 4.5 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1ccccc1)CNC(=O)c1sc2c(c1n1cccc1)cccn2
  • InChi: 1S/C21H19N3OS/c1-15(16-8-3-2-4-9-16)14-23-20(25)19-18(24-12-5-6-13-24)17-10-7-11-22-21(17)26-19/h2-13,15H,14H2,1H3,(H,23,25)
  • InChiKey: ZLSDZYCQAMHYHO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-phenylpropyl)-3-pyrrol-1-yl-thieno[5,4-b]pyridine-2-carboxamide
  • N-(2-phenylpropyl)-3-(1-pyrrolyl)-2-thieno[5,4-b]pyridinecarboxamide
  • G664-0154
  • NCGC00132755-01

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0081 0.0372 0.2237
Echinococcus multilocularis muscleblind protein 0.0149 0.0957 0.5754
Brugia malayi hypothetical protein 0.0123 0.0729 0.3875
Trichomonas vaginalis PIKK family atypical protein kinase 0.0194 0.1334 0.7089
Trichomonas vaginalis PIKK family atypical protein kinase 0.0052 0.013 0.0692
Trichomonas vaginalis PIKK family atypical protein kinase 0.0194 0.1334 0.7089
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0233 0.1664 0.149
Toxoplasma gondii histone lysine-specific demethylase 0.0086 0.0415 0.4548
Loa Loa (eye worm) hypothetical protein 0.0086 0.0415 0.2205
Trypanosoma cruzi target of rapamycin kinase 3 0.0154 0.0999 0.6003
Brugia malayi MH2 domain containing protein 0.0144 0.0913 0.4849
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0233 0.1664 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0105 0.0577 0.3067
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0065 0.0241 0.1446
Loa Loa (eye worm) phosphatidylinositol 3 0.0194 0.1334 0.7089
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0204 0.1229
Echinococcus multilocularis muscleblind protein 1 0.0149 0.0957 0.5754
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0077 0.0464
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0086 0.0415 0.4548
Loa Loa (eye worm) hypothetical protein 0.0123 0.0729 0.3875
Chlamydia trachomatis protoporphyrinogen oxidase 0.0086 0.0415 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0086 0.0415 0.0232
Trichomonas vaginalis PIKK family atypical protein kinase 0.0126 0.0757 0.4022
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0154 0.0999 0.5443
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0077 0.0464
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0086 0.0415 0.2494
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0258 0.1882 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0144 0.0912 0.4849
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0233 0.1664 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.0415 0.2205
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0065 0.0241 0.1278
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0065 0.0241 0.0247
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0194 0.1334 0.8018
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0201 0.1392 0.8366
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0572 0.4548 0.4435
Trichomonas vaginalis glucosylceramidase, putative 0.0258 0.1882 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0913 0.4849
Trichomonas vaginalis PIKK family atypical protein kinase 0.0154 0.0997 0.53
Loa Loa (eye worm) hypothetical protein 0.0149 0.0957 0.5087
Trichomonas vaginalis PIKK family atypical protein kinase 0.0144 0.0912 0.4849
Schistosoma mansoni immunophilin 0.0201 0.1392 0.8366
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.1128 0.5993
Trichomonas vaginalis PIKK family atypical protein kinase 0.0144 0.0912 0.4849
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.1205 0.6404
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0233 0.1664 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0194 0.1334 0.8018
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0233 0.1664 1
Onchocerca volvulus Glucosylceramidase homolog 0.017 0.1128 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0036 0.0189
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0258 0.1882 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0165 0.1093 0.581
Loa Loa (eye worm) hypothetical protein 0.0086 0.0415 0.2205
Brugia malayi Muscleblind-like protein 0.0149 0.0957 0.5087
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0233 0.1664 0.8841
Onchocerca volvulus Huntingtin homolog 0.0123 0.0729 0.4408
Leishmania major UDP-galactopyranose mutase 0.0086 0.0415 0.1443
Trichomonas vaginalis immunophilin, putative 0.0233 0.1664 0.8841
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0065 0.0241 0.1446
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0194 0.1334 0.8018
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0065 0.0241 0.1446
Trichomonas vaginalis PIKK family atypical protein kinase 0.0104 0.0576 0.306
Loa Loa (eye worm) hypothetical protein 0.0201 0.1392 0.7397
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0065 0.0241 0.1446
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0233 0.1664 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0233 0.1664 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0065 0.0241 0.1278
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0233 0.1664 0.8841
Trichomonas vaginalis PIKK family atypical protein kinase 0.0144 0.0912 0.4849
Trichomonas vaginalis PIKK family atypical protein kinase 0.0154 0.0997 0.53
Schistosoma mansoni amine oxidase 0.0086 0.0415 0.2494
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.1128 0.5993
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0201 0.1392 0.8366
Trypanosoma cruzi UDP-galactopyranose mutase 0.0086 0.0415 0.2494
Loa Loa (eye worm) hypothetical protein 0.0039 0.0024 0.0128
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0077 0.0464
Trichomonas vaginalis PIKK family atypical protein kinase 0.0144 0.0912 0.4849
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0233 0.1664 0.8841
Mycobacterium tuberculosis Conserved hypothetical protein 0.0086 0.0415 0.0232
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.1129 0.9274 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0194 0.1334 0.8018
Echinococcus multilocularis 0.0086 0.0415 0.2494
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0194 0.1334 0.7089
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0913 0.4849
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0065 0.0241 0.1446
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0194 0.1334 0.8018
Trichomonas vaginalis glucosylceramidase, putative 0.0258 0.1882 1
Schistosoma mansoni immunophilin 0.0233 0.1664 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0104 0.0576 0.306
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.1215 1 1
Brugia malayi amine oxidase, flavin-containing family protein 0.0086 0.0415 0.2205
Loa Loa (eye worm) FKBP5 protein 0.0233 0.1664 0.8841
Leishmania major peptidylprolyl isomerase-like protein 0.0233 0.1664 1
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0041 0.0036 0.039
Trichomonas vaginalis PIKK family atypical protein kinase 0.0116 0.0672 0.357
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0194 0.1334 0.8018
Trichomonas vaginalis PIKK family atypical protein kinase 0.0104 0.0576 0.306
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0086 0.0415 0.5
Echinococcus granulosus lysine specific histone demethylase 1A 0.0086 0.0415 0.2494
Trichomonas vaginalis PIKK family atypical protein kinase 0.0105 0.0577 0.3067
Trichomonas vaginalis PIKK family atypical protein kinase 0.0116 0.0672 0.357
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0092 0.0467 0.2806
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0077 0.0464
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0233 0.1664 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.0415 0.2205
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0233 0.1664 0.8841
Leishmania major phosphatidylinositol 3-kinase, putative 0.0065 0.0241 0.0247
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0233 0.1664 1
Mycobacterium ulcerans oxidoreductase 0.0086 0.0415 0.0215
Echinococcus granulosus lysine specific histone demethylase 1A 0.0086 0.0415 0.2494
Trypanosoma cruzi UDP-galactopyranose mutase 0.0086 0.0415 0.2494
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.1205 0.6404
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.1128 0.5993
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0194 0.1334 0.8018
Trichomonas vaginalis PIKK family atypical protein kinase 0.0115 0.0662 0.3518
Brugia malayi hypothetical protein 0.0086 0.0415 0.2205
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0204 0.1229
Trichomonas vaginalis PIKK family atypical protein kinase 0.0105 0.0577 0.3067
Trichomonas vaginalis PIKK family atypical protein kinase 0.0105 0.0577 0.3067
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0077 0.0464
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0233 0.1664 1
Loa Loa (eye worm) hypothetical protein 0.0149 0.0957 0.5087
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.1128 0.5993
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0077 0.0464
Trichomonas vaginalis PIKK family atypical protein kinase 0.013 0.0792 0.4211
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0036 0.0189
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0233 0.1664 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0194 0.1334 0.8018
Trichomonas vaginalis PIKK family atypical protein kinase 0.0144 0.0912 0.4849
Loa Loa (eye worm) hypothetical protein 0.0123 0.0729 0.3875
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0204 0.1229
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0065 0.0241 0.1446
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0077 0.0464
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.1128 0.5993
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0572 0.4548 0.479
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0204 0.1229
Mycobacterium ulcerans monoamine oxidase 0.0086 0.0415 0.0215
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.1128 0.5993
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0233 0.1664 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0077 0.0411
Trichomonas vaginalis PIKK family atypical protein kinase 0.0065 0.0241 0.1278
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0077 0.0411
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0204 0.2241
Schistosoma mansoni immunophilin 0.0233 0.1664 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0194 0.1334 0.7089
Mycobacterium ulcerans dehydrogenase 0.0086 0.0415 0.0215
Trichomonas vaginalis PIKK family atypical protein kinase 0.0154 0.0997 0.53
Trichomonas vaginalis PIKK family atypical protein kinase 0.0154 0.0997 0.53
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0194 0.1334 0.8018
Trichomonas vaginalis fk506-binding protein, putative 0.0233 0.1664 0.8841
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0086 0.0415 0.2494
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0086 0.0415 0.0215
Loa Loa (eye worm) hypothetical protein 0.0086 0.0415 0.2205
Loa Loa (eye worm) hypothetical protein 0.0086 0.0415 0.2205
Brugia malayi SWIRM domain containing protein 0.0086 0.0415 0.2205
Trichomonas vaginalis glucosylceramidase, putative 0.0258 0.1882 1
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0233 0.1664 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0065 0.0241 0.1278
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0233 0.1664 1
Echinococcus multilocularis fk506 binding protein 0.0233 0.1664 1
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0233 0.1664 1
Trichomonas vaginalis glucosylceramidase, putative 0.0258 0.1882 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0116 0.0672 0.357
Trichomonas vaginalis PIKK family atypical protein kinase 0.0154 0.0997 0.53
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0086 0.0415 0.2494
Trichomonas vaginalis PIKK family atypical protein kinase 0.0065 0.0241 0.1278
Leishmania major fk506-binding protein 1-like protein 0.0233 0.1664 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0115 0.0662 0.3518
Trichomonas vaginalis PIKK family atypical protein kinase 0.0144 0.0912 0.4849
Toxoplasma gondii target of rapamycin (TOR), putative 0.0144 0.0912 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0065 0.0241 0.1278
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0233 0.1664 0.8841
Schistosoma mansoni amine oxidase 0.0086 0.0415 0.2494
Echinococcus multilocularis protoporphyrinogen oxidase 0.0086 0.0415 0.2494
Echinococcus granulosus muscleblind protein 0.0149 0.0957 0.5754
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.1128 0.5993
Trichomonas vaginalis glucosylceramidase, putative 0.0258 0.1882 1
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0194 0.1334 0.7741
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0194 0.1334 0.7741
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0233 0.1664 1
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0065 0.0241 0.1446
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0233 0.1664 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0154 0.0999 0.6003
Onchocerca volvulus Huntingtin homolog 0.0123 0.0729 0.4408
Trichomonas vaginalis PIKK family atypical protein kinase 0.0065 0.0241 0.1278
Trichomonas vaginalis glucosylceramidase, putative 0.0258 0.1882 1
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0233 0.1664 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) 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) 35.4813 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) 100 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

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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