Detailed information for compound 1402403

Basic information

Technical information
  • TDR Targets ID: 1402403
  • Name: N-(3-imidazol-1-ylpropyl)-2-[(5Z)-5-[(2-metho xyphenyl)methylidene]-2,4-dioxo-1,3-thiazolid in-3-yl]acetamide
  • MW: 400.452 | Formula: C19H20N4O4S
  • H donors: 1 H acceptors: 4 LogP: 1.77 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1/C=C/1\SC(=O)N(C1=O)CC(=O)NCCCn1ccnc1
  • InChi: 1S/C19H20N4O4S/c1-27-15-6-3-2-5-14(15)11-16-18(25)23(19(26)28-16)12-17(24)21-7-4-9-22-10-8-20-13-22/h2-3,5-6,8,10-11,13H,4,7,9,12H2,1H3,(H,21,24)/b16-11-
  • InChiKey: CHBNQJOODLFUPK-WJDWOHSUSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-imidazol-1-ylpropyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]acetamide
  • N-[3-(1-imidazolyl)propyl]-2-[(5Z)-5-[(2-methoxyphenyl)methylene]-2,4-dioxo-3-thiazolidinyl]acetamide
  • 2-[(5Z)-2,4-diketo-5-(2-methoxybenzylidene)thiazolidin-3-yl]-N-(3-imidazol-1-ylpropyl)acetamide
  • N-(3-imidazol-1-ylpropyl)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethanamide
  • ZINC06660470

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens solute carrier family 5 (sodium/choline cotransporter), member 7 Starlite/ChEMBL No references
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis high affinity choline transporter 1 Get druggable targets OG5_131601 All targets in OG5_131601
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum High affinity choline transporter 1, putative Get druggable targets OG5_131601 All targets in OG5_131601
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131601 All targets in OG5_131601
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni high-affinity choline transporter Get druggable targets OG5_131601 All targets in OG5_131601
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi GH02984p Get druggable targets OG5_131601 All targets in OG5_131601
Echinococcus granulosus high affinity choline transporter 1 Get druggable targets OG5_131601 All targets in OG5_131601
Schistosoma japonicum IPR001734,Na+/solute symporter,domain-containing Get druggable targets OG5_131601 All targets in OG5_131601
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
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
Echinococcus granulosus high affinity choline transporter 1 0.042 0.593 0.593
Schistosoma mansoni high-affinity choline transporter 0.042 0.593 0.593
Schistosoma mansoni inositol transporter 0.0046 0.0288 0.0288
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0083 0.084 0.084
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0301 0.0201
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0339 0.0297
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.2847 0.0227
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.43 0.2213
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0339 0.024
Brugia malayi Sodium:solute symporter family protein 0.0046 0.0288 0.0246
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0107 0.1213 0.2379
Echinococcus multilocularis L aminoadipate semialdehyde 0.0083 0.084 0.084
Mycobacterium tuberculosis Probable dehydrogenase 0.0107 0.1213 0.2379
Mycobacterium ulcerans hypothetical protein 0.0301 0.4134 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.43 0.2213
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0678 0.0678
Loa Loa (eye worm) glutathione reductase 0.0047 0.0301 0.0201
Echinococcus granulosus solute carrier family 5 0.0046 0.0288 0.0288
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0107 0.1213 0.2379
Schistosoma mansoni sodium/solute symporter 0.0046 0.0288 0.0288
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0083 0.084 0.0801
Schistosoma mansoni hypothetical protein 0.0034 0.0102 0.0102
Echinococcus multilocularis high affinity choline transporter 1 0.042 0.593 0.593
Mycobacterium tuberculosis Probable oxidoreductase 0.0119 0.1394 0.2852
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0107 0.1213 0.2379
Brugia malayi GH02984p 0.042 0.593 0.5913
Schistosoma mansoni bromodomain containing protein 0.0076 0.0743 0.0743
Loa Loa (eye worm) hypothetical protein 0.0046 0.0289 0.0189
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0102 0.0059
Loa Loa (eye worm) hypothetical protein 0.0046 0.0288 0.0188
Loa Loa (eye worm) hypothetical protein 0.042 0.593 0.5889
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0301 0.0301
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0301 0.4134 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.084 0.0746
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.43 0.2213
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0046 0.0288 0.0288
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.43 0.4242
Mycobacterium tuberculosis Probable reductase 0.0107 0.1213 0.2379
Brugia malayi Thioredoxin reductase 0.0047 0.0301 0.0259
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0301 0.0301
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.43 0.2213
Loa Loa (eye worm) hypothetical protein 0.0085 0.0879 0.0785
Brugia malayi Bromodomain containing protein 0.0091 0.0957 0.0918
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.43 0.2213
Echinococcus multilocularis solute carrier family 5 0.0046 0.0288 0.0288
Echinococcus granulosus L aminoadipate semialdehyde 0.0083 0.084 0.084
Echinococcus granulosus sodium:glucose cotransporter 2 0.0046 0.0288 0.0288
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0046 0.0288 0.0288
Echinococcus granulosus sodium:glucose cotransporter 0.0046 0.0288 0.0288
Loa Loa (eye worm) hypothetical protein 0.0049 0.0332 0.0233
Toxoplasma gondii thioredoxin reductase 0.0047 0.0301 0.0013
Onchocerca volvulus 0.0083 0.084 0.2309
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0046 0.0288 0.0288
Brugia malayi Bromodomain containing protein 0.0046 0.0287 0.0245
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.43 0.4276
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0339 0.0297
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0244 0.0244
Loa Loa (eye worm) hypothetical protein 0.005 0.0339 0.024
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.43 0.2213
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0119 0.1394 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0678 0.0678
Schistosoma mansoni inositol transporter 0.0046 0.0288 0.0288
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0244 0.0244
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0119 0.1394 0.2852
Loa Loa (eye worm) hypothetical protein 0.0052 0.0367 0.0268
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0119 0.1394 0.2852
Brugia malayi glutathione reductase 0.0047 0.0301 0.0259
Echinococcus granulosus sodium:myo inositol cotransporter 0.0046 0.0288 0.0288
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.268 1
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.2847 0.0227
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0107 0.1213 0.2379
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0046 0.0288 0.0288

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 19.05460718 uM PUBCHEM_BIOASSAY: Dose responses of compounds that inhibit the Choline Transporter (CHT) - 5 point CRC. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488975, AID488997, AID493221, AID493222] ChEMBL. No reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 10.4179 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) 11.6891 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 (binding) 28.1838 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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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