Detailed information for compound 1821517

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 384.427 | Formula: C24H20N2O3
  • H donors: 0 H acceptors: 1 LogP: 4.13 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)[C@@H]1C(=NO[C@@]21c1ccccc1N(C2=O)C)c1ccccc1
  • InChi: 1S/C24H20N2O3/c1-26-20-11-7-6-10-19(20)24(23(26)27)21(16-12-14-18(28-2)15-13-16)22(25-29-24)17-8-4-3-5-9-17/h3-15,21H,1-2H3/t21-,24-/m1/s1
  • InChiKey: AVQTZTSILDNFSB-ZJSXRUAMSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0237 0.0232
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0019 0.0005 0.5
Onchocerca volvulus 0.0354 0.1446 0.1442
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0096 0.0101
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0237 0.0232
Loa Loa (eye worm) beta-lactamase 0.004 0.0096 0.0096
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0019 0.0005 0.0005
Trypanosoma cruzi trypanothione reductase, putative 0.0056 0.0161 0.0157
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0096 0.0633
Leishmania major glutaminyl cyclase, putative 0.0354 0.1446 0.1442
Treponema pallidum NADH oxidase 0.0019 0.0005 0.5
Brugia malayi Thioredoxin reductase 0.0056 0.0161 0.0161
Plasmodium vivax thioredoxin reductase, putative 0.0056 0.0161 1
Toxoplasma gondii prostaglandin-E synthase 0.2339 1 1
Schistosoma mansoni nicalin (M28 family) 0.0354 0.1446 0.1522
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0019 0.0005 0.0005
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0096 0.0633
Loa Loa (eye worm) hypothetical protein 0.0039 0.0091 0.0091
Loa Loa (eye worm) hypothetical protein 0.0354 0.1446 0.1446
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0237 0.0232
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0096 0.0101
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0096 0.0633
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0141 0.0529 0.3639
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0237 0.0232
Echinococcus granulosus cathepsin l cysteine peptidase 0.0019 0.0005 0.0005
Schistosoma mansoni Fxna peptidase (M28 family) 0.0354 0.1446 0.1522
Entamoeba histolytica cysteine protease, putative 0.0019 0.0005 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0141 0.0529 1
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0096 0.0633
Brugia malayi Cathepsin L-like precursor 0.0019 0.0005 0.0005
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0237 0.0232
Loa Loa (eye worm) hypothetical protein 0.004 0.0096 0.0096
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0354 0.1446 0.1522
Echinococcus multilocularis microtubule associated protein 2 0.0774 0.3256 0.3427
Mycobacterium ulcerans hypothetical protein 0.004 0.0096 0.0631
Brugia malayi Cathepsin L-like precursor 0.0019 0.0005 0.0005
Leishmania major hypothetical protein, conserved 0.004 0.0096 0.0091
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0019 0.0005 0.0022
Trypanosoma cruzi glutaminyl cyclase, putative 0.0354 0.1446 0.1442
Loa Loa (eye worm) ctsf protein 0.0019 0.0005 0.0005
Brugia malayi glutathione reductase 0.0056 0.0161 0.0161
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0047 0.0042
Brugia malayi Papain family cysteine protease containing protein 0.0019 0.0005 0.0005
Toxoplasma gondii hypothetical protein 0.0354 0.1446 0.1442
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0237 0.0232
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0096 0.0633
Mycobacterium tuberculosis Conserved protein 0.004 0.0096 0.0631
Trypanosoma cruzi cysteine peptidase, putative 0.0073 0.0237 0.0232
Loa Loa (eye worm) cysteine protease 0.0019 0.0005 0.0005
Brugia malayi beta-lactamase family protein 0.004 0.0096 0.0096
Trichomonas vaginalis esterase, putative 0.004 0.0096 0.0633
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0096 0.0631
Toxoplasma gondii ABC1 family protein 0.004 0.0096 0.0091
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0005 0.5
Giardia lamblia NADH oxidase lateral transfer candidate 0.0019 0.0005 0.5
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0019 0.0005 0.0022
Trypanosoma cruzi cruzipain precursor, putative 0.0073 0.0237 0.0232
Echinococcus multilocularis cathepsin L cysteine protease 0.0019 0.0005 0.0005
Loa Loa (eye worm) fibroinase 0.0019 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0019 0.0005 0.0005
Brugia malayi beta-lactamase family protein 0.004 0.0096 0.0096
Mycobacterium tuberculosis Probable oxidoreductase 0.0141 0.0529 0.3639
Trichomonas vaginalis conserved hypothetical protein 0.0354 0.1446 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0096 0.0096
Echinococcus granulosus microtubule associated protein 2 0.0774 0.3256 0.3427
Echinococcus multilocularis thioredoxin glutathione reductase 0.0056 0.0161 0.017
Loa Loa (eye worm) hypothetical protein 0.0354 0.1446 0.1446
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0096 0.0631
Echinococcus granulosus thioredoxin glutathione reductase 0.0056 0.0161 0.017
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0019 0.0005 0.0022
Brugia malayi hypothetical protein 0.0019 0.0002 0.0002
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0237 0.0232
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0169 0.0169
Toxoplasma gondii thioredoxin reductase 0.0056 0.0161 0.0157
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.2223 0.9502 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0127 0.0468 0.3215
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0096 0.0096
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0169 0.0169
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0005 0.5
Loa Loa (eye worm) hypothetical protein 0.2223 0.9502 0.9502
Loa Loa (eye worm) hypothetical protein 0.004 0.0096 0.0096
Brugia malayi Cathepsin L-like precursor 0.0019 0.0005 0.0005
Brugia malayi Cathepsin L-like precursor 0.0019 0.0005 0.0005
Leishmania major trypanothione reductase 0.0056 0.0161 0.0157
Onchocerca volvulus Fxna peptidase homolog 0.0354 0.1446 0.1442
Loa Loa (eye worm) hypothetical protein 0.004 0.0096 0.0096
Brugia malayi Cathepsin L-like precursor 0.0019 0.0005 0.0005
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.0005 0.0005
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0096 0.0101
Onchocerca volvulus Glutaminyl cyclase homolog 0.2223 0.9502 0.9502
Loa Loa (eye worm) hypothetical protein 0.004 0.0096 0.0096
Onchocerca volvulus 0.004 0.0096 0.0091
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0047 0.2692
Schistosoma mansoni hypothetical protein 0.0039 0.0091 0.0095
Mycobacterium tuberculosis Conserved protein 0.004 0.0096 0.0631
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0096 0.0101
Mycobacterium ulcerans lipase LipD 0.004 0.0096 0.0631
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0354 0.1446 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0169 0.0169
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0258 0.1033 0.7134
Leishmania major cathepsin L-like protease 0.0073 0.0237 0.0232
Trichomonas vaginalis conserved hypothetical protein 0.0354 0.1446 1
Echinococcus granulosus cathepsin l1 0.0019 0.0005 0.0005
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0096 0.0096
Loa Loa (eye worm) thioredoxin reductase 0.0056 0.0161 0.0161
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0047 0.2692
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0354 0.1446 1
Leishmania major cathepsin L-like protease 0.0073 0.0237 0.0232
Brugia malayi leucyl aminopeptidase 0.0354 0.1446 0.1446
Mycobacterium tuberculosis Conserved protein 0.004 0.0096 0.0631
Onchocerca volvulus 0.004 0.0096 0.0091
Entamoeba histolytica cysteine proteinase, putative 0.0019 0.0005 0.5
Brugia malayi Peptidase family M28 containing protein 0.2223 0.9502 0.9502
Loa Loa (eye worm) hypothetical protein 0.0354 0.1446 0.1446
Leishmania major hypothetical protein, conserved 0.0354 0.1446 0.1442
Echinococcus multilocularis cysteine protease 0.0019 0.0005 0.0005
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0354 0.1446 0.1522
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0047 0.0042
Loa Loa (eye worm) hypothetical protein 0.0029 0.0047 0.0047
Brugia malayi Cathepsin L-like precursor 0.0019 0.0005 0.0005
Brugia malayi FXNA 0.0354 0.1446 0.1446
Trypanosoma brucei trypanothione reductase 0.0056 0.0161 0.0157
Plasmodium falciparum thioredoxin reductase 0.0019 0.0005 0.0022
Entamoeba histolytica cysteine proteinase, putative 0.0019 0.0005 0.5
Echinococcus granulosus cathepsin L cysteine proteinase 0.0019 0.0005 0.0005
Mycobacterium ulcerans beta-lactamase 0.004 0.0096 0.0631
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.0005 0.0005
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0096 0.0631
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0019 0.0005 0.0005
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.2223 0.9502 1
Trypanosoma cruzi glutathione-S-transferase/glutaredoxin, putative 0.2339 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0019 0.0005 0.0005
Trypanosoma brucei Prostaglandin E synthase 0.2339 1 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0127 0.0468 0.3215
Trichomonas vaginalis mercuric reductase, putative 0.0019 0.0005 0.0002
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0096 0.0631
Brugia malayi hypothetical protein 0.0029 0.0047 0.0047
Onchocerca volvulus 0.004 0.0096 0.0091
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0096 0.0091
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.2223 0.9502 1
Plasmodium falciparum glutathione reductase 0.0056 0.0161 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0019 0.0005 0.0005
Schistosoma mansoni microtubule-associated protein tau 0.0774 0.3256 0.3427
Trypanosoma cruzi glutathione-S-transferase/glutaredoxin, putative 0.2339 1 1
Toxoplasma gondii peptidase, M28 family protein 0.0354 0.1446 0.1442
Onchocerca volvulus Fxna peptidase homolog 0.0354 0.1446 0.1442
Trypanosoma cruzi major cysteine proteinase, putative 0.0057 0.0169 0.0165
Trichomonas vaginalis glutathione reductase, putative 0.0019 0.0005 0.0002
Plasmodium falciparum thioredoxin reductase 0.0056 0.0161 1
Mycobacterium tuberculosis Probable reductase 0.0127 0.0468 0.3215
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0047 0.2692
Mycobacterium tuberculosis Probable dehydrogenase 0.0127 0.0468 0.3215
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.0005 0.0005
Trichomonas vaginalis conserved hypothetical protein 0.0354 0.1446 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.0169 0.0169
Leishmania major glutathione-S-transferase/glutaredoxin, putative 0.2339 1 1
Loa Loa (eye worm) glutathione reductase 0.0056 0.0161 0.0161
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0354 0.1446 0.1522
Loa Loa (eye worm) hypothetical protein 0.0354 0.1446 0.1446
Schistosoma mansoni glutaminyl-peptide cyclotransferase-related 0.0354 0.1446 0.1522
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0096 0.0091
Loa Loa (eye worm) hypothetical protein 0.004 0.0096 0.0096
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0019 0.0005 0.0022
Loa Loa (eye worm) leucyl aminopeptidase 0.0354 0.1446 0.1446
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0067 0.021 0.0205
Mycobacterium tuberculosis Conserved protein 0.0354 0.1446 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0056 0.0161 0.1086
Trypanosoma cruzi cysteine peptidase, putative 0.0073 0.0237 0.0232
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0019 0.0005 0.0005
Plasmodium falciparum glutathione reductase 0.0019 0.0005 0.0022
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0237 0.0232
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0237 0.0232
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0096 0.0631
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0047 0.0042
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.0005 0.0005
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0096 0.0631
Plasmodium vivax glutathione reductase, putative 0.0056 0.0161 1
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0096 0.0631
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0354 0.1446 0.1522
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0096 0.0091
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0096 0.0631
Onchocerca volvulus 0.2339 1 1
Leishmania major hypothetical protein, conserved 0.0029 0.0047 0.0042
Echinococcus multilocularis cysteine protease 0.0019 0.0005 0.0005
Plasmodium vivax hypothetical protein, conserved 0.004 0.0096 0.5818
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0096 0.0631
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0237 0.0232
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0127 0.0468 0.8593
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0127 0.0468 0.3215
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0141 0.0529 0.3639
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0237 0.0232
Mycobacterium ulcerans hypothetical protein 0.0354 0.1446 1
Leishmania major cathepsin L-like protease 0.0073 0.0237 0.0232
Brugia malayi nicalin 0.0354 0.1446 0.1446
Trichomonas vaginalis Clan MH, family M28, aminopeptidase S-like metallopeptidase 0.0354 0.1446 1
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.0005 0.0005
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0354 0.1446 0.1522
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0091 0.0091
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0127 0.0468 0.3215
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0047 0.0042
Loa Loa (eye worm) hypothetical protein 0.2339 1 1
Trypanosoma cruzi glutaminyl cyclase, putative 0.0354 0.1446 0.1442
Trypanosoma cruzi cysteine peptidase, putative 0.0073 0.0237 0.0232
Trypanosoma brucei glutaminyl cyclase, putative 0.0354 0.1446 0.1442
Onchocerca volvulus Fxna peptidase homolog 0.0354 0.1446 0.1442
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0354 0.1446 0.1522
Brugia malayi beta-lactamase 0.004 0.0096 0.0096

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) > 100 uM Antiproliferative activity against human HepG2 cells after 24 hrs by MTS assay ChEMBL. 24268795

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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