Detailed information for compound 617711

Basic information

Technical information
  • TDR Targets ID: 617711
  • Name: 6-acetyl-2-[(3,4-dimethoxybenzoyl)amino]-5,7- dihydro-4H-thieno[5,4-c]pyridine-3-carboxamid e
  • MW: 403.452 | Formula: C19H21N3O5S
  • H donors: 2 H acceptors: 3 LogP: 1.51 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)C(=O)Nc1sc2c(c1C(=O)N)CCN(C2)C(=O)C
  • InChi: 1S/C19H21N3O5S/c1-10(23)22-7-6-12-15(9-22)28-19(16(12)17(20)24)21-18(25)11-4-5-13(26-2)14(8-11)27-3/h4-5,8H,6-7,9H2,1-3H3,(H2,20,24)(H,21,25)
  • InChiKey: PATOZPPZSXLJBU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-acetyl-2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-5,7-dihydro-4H-thieno[5,4-c]pyridine-3-carboxamide
  • 2-[(3,4-dimethoxyphenyl)carbonylamino]-6-ethanoyl-5,7-dihydro-4H-thieno[5,4-c]pyridine-3-carboxamide
  • ZINC04280384

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
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0233 0.2661 1
Loa Loa (eye worm) RNA binding protein 0.0334 0.3999 1
Schistosoma mansoni chromobox protein 0.0072 0.0534 0.1232
Schistosoma mansoni jumonji/arid domain-containing protein 0.0075 0.0571 0.1325
Loa Loa (eye worm) glutathione reductase 0.0044 0.0161 0.0402
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0062 0.0399 0.0889
Trypanosoma brucei trypanothione reductase 0.0044 0.0161 1
Brugia malayi TAR-binding protein 0.0334 0.3999 1
Brugia malayi jmjC domain containing protein 0.0075 0.0571 0.1325
Echinococcus multilocularis chromobox protein 1 0.0072 0.0534 0.0474
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0141 0.1448 0.3545
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0141 0.1448 0.1394
Echinococcus multilocularis chromobox protein 1 0.0072 0.0534 0.0474
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0141 0.1448 0.3519
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0063 0.004
Echinococcus granulosus tar DNA binding protein 0.0334 0.3999 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0062 0.0399 0.0853
Brugia malayi MH2 domain containing protein 0.0138 0.1411 0.345
Schistosoma mansoni tar DNA-binding protein 0.0334 0.3999 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0203 0.2259 0.221
Brugia malayi Thioredoxin reductase 0.0044 0.0161 0.0287
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0263 0.0546
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0111 0.1051 0.3803
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0156 0.1971
Schistosoma mansoni jumonji/arid domain-containing protein 0.0075 0.0571 0.1325
Leishmania major trypanothione reductase 0.0044 0.0161 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0399 0.0997
Loa Loa (eye worm) hypothetical protein 0.0036 0.0063 0.0158
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0115 0.2895
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0203 0.2259 0.558
Echinococcus granulosus chromobox protein 1 0.0072 0.0534 0.1197
Schistosoma mansoni chromobox protein 0.0072 0.0534 0.1232
Brugia malayi Bromodomain containing protein 0.0062 0.0399 0.0889
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0263 0.0658
Echinococcus multilocularis thioredoxin glutathione reductase 0.0044 0.0169 0.0106
Echinococcus multilocularis lysine specific demethylase 5A 0.0075 0.0571 0.0511
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.1411 0.3528
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0063 0.5
Mycobacterium ulcerans hypothetical protein 0.0036 0.0063 0.5
Loa Loa (eye worm) TAR-binding protein 0.0334 0.3999 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.0983 0.2458
Schistosoma mansoni jumonji domain containing protein 0.0161 0.1709 0.4205
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0111 0.1051 1
Brugia malayi RNA binding protein 0.0334 0.3999 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0047 0.0118
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.01 0.0903 0.3235
Onchocerca volvulus 0.0036 0.0063 0.1583
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0141 0.1448 0.3622
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0263 0.0546
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0141 0.1448 0.3545
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.01 0.0903 0.8506
Echinococcus granulosus chromobox protein 1 0.0072 0.0534 0.1197
Onchocerca volvulus 0.0036 0.0063 0.1583
Plasmodium vivax thioredoxin reductase, putative 0.0044 0.0161 0.2909
Toxoplasma gondii PHD-finger domain-containing protein 0.0062 0.0399 1
Trichomonas vaginalis chromobox protein, putative 0.0072 0.0534 1
Plasmodium vivax hypothetical protein, conserved 0.0062 0.0399 1
Onchocerca volvulus Alhambra homolog 0.0062 0.0399 1
Plasmodium falciparum phd finger protein, putative 0.0062 0.0399 1
Brugia malayi RNA recognition motif domain containing protein 0.0334 0.3999 1
Schistosoma mansoni tar DNA-binding protein 0.0334 0.3999 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0141 0.1448 0.1394
Mycobacterium ulcerans beta-lactamase 0.0036 0.0063 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0044 0.0161 0.0376
Mycobacterium tuberculosis Probable reductase 0.01 0.0903 0.3235
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0063 0.004
Echinococcus multilocularis tar DNA binding protein 0.0334 0.3999 0.3961
Brugia malayi jmjC domain containing protein 0.0203 0.2259 0.5598
Brugia malayi beta-lactamase 0.0036 0.0063 0.004
Schistosoma mansoni tar DNA-binding protein 0.0334 0.3999 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0334 0.3999 1
Echinococcus multilocularis jumonji domain containing protein 0.0086 0.0719 0.066
Mycobacterium tuberculosis Probable oxidoreductase 0.0111 0.1051 0.3803
Brugia malayi glutathione reductase 0.0044 0.0161 0.0287
Loa Loa (eye worm) hypothetical protein 0.004 0.0115 0.0289
Echinococcus granulosus thioredoxin glutathione reductase 0.0044 0.0169 0.0268
Brugia malayi PHD-finger family protein 0.0062 0.0399 0.0889
Giardia lamblia PHD finger protein 15 0.0062 0.0399 0.5
Echinococcus granulosus jumonji domain containing protein 0.0086 0.0719 0.1667
Schistosoma mansoni hypothetical protein 0.0062 0.0399 0.0889
Toxoplasma gondii thioredoxin reductase 0.0044 0.0161 0.2909
Brugia malayi chromobox protein homolog 3 0.004 0.0115 0.0172
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0156 0.3912
Mycobacterium tuberculosis Putative ferredoxin reductase 0.01 0.0903 0.3235
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0141 0.1448 0.3545
Loa Loa (eye worm) PHD-finger family protein 0.0062 0.0399 0.0997
Echinococcus multilocularis PHD finger protein rhinoceros 0.0062 0.0399 0.0338
Loa Loa (eye worm) heterochromatin protein 1 0.0072 0.0534 0.1336
Echinococcus granulosus peregrin 0.0062 0.0399 0.0853
Plasmodium vivax glutathione reductase, putative 0.0044 0.0161 0.2909
Loa Loa (eye worm) beta-lactamase 0.0036 0.0063 0.0158
Schistosoma mansoni tar DNA-binding protein 0.0334 0.3999 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0063 0.0158
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.1411 0.3528
Loa Loa (eye worm) hypothetical protein 0.0036 0.0063 0.0158
Echinococcus granulosus lysine specific demethylase 5A 0.0075 0.0571 0.129
Brugia malayi beta-lactamase family protein 0.0036 0.0063 0.004
Echinococcus multilocularis peregrin 0.0062 0.0399 0.0338
Loa Loa (eye worm) thioredoxin reductase 0.0044 0.0161 0.0402
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0063 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0063 0.0158
Brugia malayi beta-lactamase family protein 0.0036 0.0063 0.004
Loa Loa (eye worm) jmjC domain-containing protein 0.0128 0.127 0.3175
Onchocerca volvulus 0.0036 0.0063 0.1583
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.01 0.0903 0.3235
Toxoplasma gondii PHD-finger domain-containing protein 0.0062 0.0399 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0141 0.1448 0.3519
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0115 0.111
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0063 0.0158
Schistosoma mansoni tar DNA-binding protein 0.0334 0.3999 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0063 0.0158
Trypanosoma cruzi trypanothione reductase, putative 0.0044 0.0161 1
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0115 0.111
Trichomonas vaginalis chromobox protein, putative 0.0072 0.0534 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0141 0.1448 0.3545
Brugia malayi Heterochromatin protein 1 0.0072 0.0534 0.1232
Mycobacterium tuberculosis Probable dehydrogenase 0.01 0.0903 0.3235
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.01 0.0903 0.3235
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0063 0.004
Loa Loa (eye worm) jmjC domain-containing protein 0.0075 0.0571 0.1428
Mycobacterium ulcerans lipase LipD 0.0036 0.0063 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.0263 0.0658
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0156 0.1971
Loa Loa (eye worm) hypothetical protein 0.0036 0.0063 0.0158
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0111 0.1051 0.3803

Activities

No activities found for this compound.

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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