Detailed information for compound 876048

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 332.353 | Formula: C20H16N2O3
  • H donors: 1 H acceptors: 3 LogP: 3.81 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCOc1ccc(cc1)N=C(C1=C(O)c2c(C1=O)cccc2)C#N
  • InChi: 1S/C20H16N2O3/c1-2-11-25-14-9-7-13(8-10-14)22-17(12-21)18-19(23)15-5-3-4-6-16(15)20(18)24/h3-10,23H,2,11H2,1H3
  • InChiKey: FQGGQVHBNARGFL-UHFFFAOYSA-N  

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 0.0145 0.3265 1
Trypanosoma cruzi cysteine peptidase, putative 0.0145 0.3265 0.41
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0145 0.3265 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0023 0.0029
Onchocerca volvulus Cathepsin L homolog 0.0145 0.3265 1
Entamoeba histolytica cysteine proteinase, putative 0.0079 0.1337 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0145 0.3265 1
Echinococcus granulosus cysteine protease 0.0079 0.1337 0.1317
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0145 0.3265 1
Brugia malayi Papain family cysteine protease containing protein 0.0034 0.0023 0.0029
Entamoeba histolytica cysteine protease, putative 0.0079 0.1337 0.4054
Echinococcus multilocularis cysteine protease 0.0145 0.3265 0.3249
Echinococcus granulosus cathepsin l cysteine peptidase 0.0145 0.3265 0.3249
Leishmania major cathepsin L-like protease 0.0145 0.3265 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0383 0.0483
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0383 0.0361
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.01 0.195 0.2438
Onchocerca volvulus 0.0145 0.3265 1
Plasmodium vivax vivapain-3 0.0079 0.1337 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0079 0.1337 0.4054
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0045 0.0359 0.0453
Echinococcus granulosus cathepsin L 0.0079 0.1337 0.1317
Giardia lamblia Cathepsin B precursor 0.0118 0.2468 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0145 0.3265 1
Brugia malayi cathepsin L-like precursor 0.01 0.195 0.246
Loa Loa (eye worm) hypothetical protein 0.0306 0.793 1
Loa Loa (eye worm) hypothetical protein 0.01 0.195 0.246
Brugia malayi cathepsin B-like cysteine proteinase 0.0306 0.793 1
Brugia malayi Papain family cysteine protease containing protein 0.0145 0.3265 0.4117
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0079 0.1337 0.1337
Brugia malayi Cathepsin L-like precursor 0.0145 0.3265 0.4117
Echinococcus granulosus cathepsin L cysteine proteinase 0.0145 0.3265 0.3249
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0145 0.3265 1
Entamoeba histolytica cysteine proteinase, putative 0.01 0.195 0.5946
Schistosoma mansoni biogenic amine (5HT) receptor 0.0125 0.2681 0.2681
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0383 0.0361
Loa Loa (eye worm) cysteine protease 0.0145 0.3265 0.4117
Trypanosoma cruzi cysteine peptidase, putative 0.0145 0.3265 0.41
Entamoeba histolytica cysteine protease, putative 0.0079 0.1337 0.4054
Brugia malayi Papain family cysteine protease containing protein 0.0079 0.1337 0.1686
Echinococcus multilocularis geminin 0.0164 0.3795 0.3781
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0034 0.0023 0.0023
Giardia lamblia Cathepsin B precursor 0.0118 0.2468 1
Entamoeba histolytica cysteine proteinase 1, putative 0.0079 0.1337 0.4054
Loa Loa (eye worm) hypothetical protein 0.0048 0.0442 0.0558
Schistosoma mansoni cathepsin C 0.0034 0.0023 0.0023
Loa Loa (eye worm) hypothetical protein 0.0034 0.0023 0.0029
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0145 0.3265 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0079 0.1337 0.1662
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0383 0.0383
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0378 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0145 0.3265 1
Brugia malayi Cathepsin L-like precursor 0.0145 0.3265 0.4117
Brugia malayi Papain family cysteine protease containing protein 0.0034 0.0023 0.0029
Schistosoma mansoni biogenic amine (5HT) receptor 0.0378 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0145 0.3265 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0145 0.3265 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.3265 0.4117
Schistosoma mansoni hypothetical protein 0.0164 0.3795 0.3795
Leishmania major cathepsin L-like protease 0.0145 0.3265 1
Plasmodium vivax vivapain-2 0.0145 0.3265 1
Onchocerca volvulus 0.0145 0.3265 1
Onchocerca volvulus Cathepsin L homolog 0.0145 0.3265 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0034 0.0023 0.0029
Plasmodium falciparum cysteine proteinase falcipain 1 0.0079 0.1337 0.4054
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0045 0.0359 0.0453
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0145 0.3265 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0145 0.3265 1
Echinococcus multilocularis serotonin receptor 0.0125 0.2681 0.2665
Schistosoma mansoni cathepsin S (C01 family) 0.0034 0.0023 0.0023
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0442 0.0558
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0118 0.2468 0.3093
Loa Loa (eye worm) hypothetical protein 0.01 0.195 0.246
Brugia malayi cathepsin Z-like cysteine proteinase 0.0034 0.0023 0.0029
Brugia malayi cathepsin Z-like cysteine proteinase 0.0034 0.0023 0.0029
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0118 0.2468 0.2468
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0034 0.0023 0.0023
Entamoeba histolytica cysteine protease, putative 0.0145 0.3265 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0145 0.3265 1
Brugia malayi Cathepsin L-like precursor 0.0045 0.0359 0.0453
Entamoeba histolytica cysteine proteinase, putative 0.0079 0.1337 0.4054
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0145 0.3265 0.3249
Loa Loa (eye worm) hypothetical protein 0.0045 0.0359 0.0453
Entamoeba histolytica cysteine protease, putative 0.0079 0.1337 0.4054
Entamoeba histolytica cysteine protease, putative 0.0079 0.1337 0.4054
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0383 0.0361
Leishmania major cysteine peptidase A (CPA) 0.0145 0.3265 1
Brugia malayi cathepsin L-like cysteine proteinase 0.0034 0.0023 0.0029
Brugia malayi cathepsin F-like cysteine proteinase 0.0045 0.0359 0.0453
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.01 0.195 0.5946
Onchocerca volvulus 0.0145 0.3265 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0145 0.3265 1
Entamoeba histolytica cysteine protease, putative 0.0079 0.1337 0.4054
Onchocerca volvulus 0.0145 0.3265 1
Toxoplasma gondii cathepsin CPL 0.0145 0.3265 1
Entamoeba histolytica cysteine proteinase, putative 0.0145 0.3265 1
Loa Loa (eye worm) fibroinase 0.0145 0.3265 0.4117
Schistosoma mansoni cathepsin F (C01 family) 0.0145 0.3265 0.3265
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0145 0.3265 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0145 0.3265 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0383 0.0383
Echinococcus multilocularis cysteine protease 0.0145 0.3265 0.3249
Trypanosoma cruzi cysteine peptidase, putative 0.0045 0.0359 0.0425
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0034 0.0023 0.0023
Brugia malayi cathepsin F-like cysteine proteinase 0.0034 0.0023 0.0029
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0145 0.3265 0.4117
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0442 0.0558
Leishmania major cathepsin L-like protease 0.0145 0.3265 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0118 0.2468 0.5868
Plasmodium vivax vivapain-2 0.0145 0.3265 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0145 0.3265 1
Brugia malayi Cathepsin L-like precursor 0.0145 0.3265 0.4117
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0145 0.3265 1
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0034 0.0023 0.0029
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0118 0.2468 0.7543
Giardia lamblia Cathepsin B precursor 0.0118 0.2468 1
Schistosoma mansoni cathepsin B (C01 family) 0.0034 0.0023 0.0023
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0145 0.3265 1
Trypanosoma cruzi cysteine proteinase, putative 0.0079 0.1337 0.1662
Loa Loa (eye worm) hypothetical protein 0.0045 0.0359 0.0453
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0034 0.0023 0.0023
Loa Loa (eye worm) ctsf protein 0.0145 0.3265 0.4117
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0145 0.3265 1
Plasmodium vivax unspecified product 0.0045 0.0359 0.1037
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0306 0.793 0.793
Onchocerca volvulus Cathepsin F homolog 0.0145 0.3265 1
Trypanosoma cruzi cysteine peptidase, putative 0.0145 0.3265 0.41
Loa Loa (eye worm) hypothetical protein 0.0045 0.0359 0.0453
Onchocerca volvulus 0.0145 0.3265 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0125 0.2681 0.2665
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0079 0.1337 0.4054
Echinococcus multilocularis cathepsin L cysteine protease 0.0145 0.3265 0.3249
Leishmania major cathepsin L-like protease 0.0145 0.3265 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0034 0.0023 0.0029
Echinococcus granulosus geminin 0.0164 0.3795 0.3781
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0383 0.0483
Onchocerca volvulus 0.01 0.195 0.5946
Entamoeba histolytica cysteine proteinase, putative 0.0145 0.3265 1
Brugia malayi cathepsin L precursor 0.0034 0.0023 0.0029
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0145 0.3265 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0145 0.3265 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0145 0.3265 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0145 0.3265 1
Plasmodium vivax unspecified product 0.0079 0.1337 0.4054
Schistosoma mansoni cathepsin s 0.0045 0.0359 0.0359
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0306 0.793 0.793
Brugia malayi Cathepsin L-like precursor 0.0145 0.3265 0.4117
Loa Loa (eye worm) hypothetical protein 0.01 0.195 0.246
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0306 0.793 1
Entamoeba histolytica cysteine protease, putative 0.0079 0.1337 0.4054
Entamoeba histolytica cysteine protease, putative 0.0079 0.1337 0.4054
Schistosoma mansoni cathepsin F (C01 family) 0.0145 0.3265 0.3265
Loa Loa (eye worm) hypothetical protein 0.0034 0.0023 0.0029
Entamoeba histolytica cysteine protease, putative 0.0079 0.1337 0.4054
Echinococcus granulosus cathepsin b 0.0306 0.793 0.7925
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0383 0.0383
Entamoeba histolytica cysteine protease, putative 0.0079 0.1337 0.4054
Trypanosoma cruzi cysteine peptidase, putative 0.0145 0.3265 0.41
Loa Loa (eye worm) hypothetical protein 0.0034 0.0023 0.0029
Loa Loa (eye worm) cathepsin B 0.0118 0.2468 0.3113
Leishmania major cathepsin L-like protease 0.0145 0.3265 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0079 0.1337 0.1337
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0145 0.3265 1
Brugia malayi Cathepsin L-like precursor 0.0145 0.3265 0.4117
Echinococcus granulosus cathepsin l1 0.01 0.195 0.1932
Echinococcus granulosus cathepsin l1 0.0145 0.3265 0.3249
Trypanosoma cruzi cysteine proteinase, putative 0.0079 0.1337 0.1662
Entamoeba histolytica cysteine protease, putative 0.0079 0.1337 0.4054
Brugia malayi Papain family cysteine protease containing protein 0.0034 0.0023 0.0029
Echinococcus multilocularis cathepsin b 0.0306 0.793 0.7925
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0145 0.3265 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0145 0.3265 1
Trypanosoma cruzi cysteine peptidase, putative 0.0079 0.1337 0.1662
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0306 0.793 0.793
Brugia malayi Papain family cysteine protease containing protein 0.0079 0.1337 0.1686
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0145 0.3265 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0145 0.3265 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0145 0.3265 1
Entamoeba histolytica cysteine proteinase, putative 0.0079 0.1337 0.4054
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0145 0.3265 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0145 0.3265 0.3249
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0034 0.0023 0.0029
Brugia malayi fibroinase precursor 0.0034 0.0023 0.0029
Leishmania major cathepsin L-like protease 0.0145 0.3265 1
Trypanosoma cruzi cruzipain precursor, putative 0.0145 0.3265 0.41
Echinococcus multilocularis cathepsin b 0.0306 0.793 0.7925
Onchocerca volvulus 0.0145 0.3265 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.01 0.195 0.5946
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0145 0.3265 1
Echinococcus multilocularis serotonin receptor 0.0125 0.2681 0.2665
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0145 0.3265 1
Entamoeba histolytica cysteine protease, putative 0.0079 0.1337 0.4054
Loa Loa (eye worm) hypothetical protein 0.0125 0.2681 0.3382
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0145 0.3265 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0145 0.3265 1
Echinococcus multilocularis cathepsin L 0.0079 0.1337 0.1317
Schistosoma mansoni hypothetical protein 0.0164 0.3795 0.3795
Leishmania major cathepsin L-like protease 0.0145 0.3265 1
Schistosoma mansoni cathepsin F (C01 family) 0.01 0.195 0.195
Trypanosoma cruzi cysteine protease, putative 0.0079 0.1337 0.1662
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0034 0.0023 0.0023
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0034 0.0023 0.0023
Loa Loa (eye worm) hypothetical protein 0.0034 0.0023 0.0029
Leishmania major cathepsin L-like protease 0.0145 0.3265 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0034 0.0023 0.0023
Onchocerca volvulus 0.0145 0.3265 1
Entamoeba histolytica cysteine proteinase, putative 0.0079 0.1337 0.4054
Entamoeba histolytica cysteine protease, putative 0.0079 0.1337 0.4054
Brugia malayi Cathepsin L-like precursor 0.01 0.195 0.246
Brugia malayi Cathepsin L-like precursor 0.0145 0.3265 0.4117
Brugia malayi Cathepsin L-like cysteine proteinase 0.01 0.195 0.246
Echinococcus granulosus cathepsin b 0.0306 0.793 0.7925
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0145 0.3265 1
Loa Loa (eye worm) hypothetical protein 0.0125 0.2681 0.3382
Brugia malayi Cathepsin L-like precursor 0.01 0.195 0.246
Loa Loa (eye worm) hypothetical protein 0.0034 0.0023 0.0029
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0034 0.0023 0.0023
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0145 0.3265 1
Plasmodium vivax vivapain-1 0.0079 0.1337 0.4054
Entamoeba histolytica cysteine protease, putative 0.0079 0.1337 0.4054
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0079 0.1337 0.1337
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0145 0.3265 1
Toxoplasma gondii cathepsin B 0.0118 0.2468 0.7543
Entamoeba histolytica cysteine proteinase 2 0.0079 0.1337 0.4054
Echinococcus granulosus cathepsin L cysteine protease 0.0079 0.1337 0.1317
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0442 0.0558
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0145 0.3265 0.3249
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0306 0.793 0.793
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0034 0.0023 0.0023
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0145 0.3265 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0145 0.3265 0.4117
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0383 0.0361
Trypanosoma cruzi cruzipain precursor, putative 0.0045 0.0359 0.0425

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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