Detailed information for compound 832465

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 394.49 | Formula: C21H22N4O2S
  • H donors: 1 H acceptors: 2 LogP: 3.62 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(n1nc(C)n2c(c1=O)cc1c2ccs1)C(=O)NCc1ccc(cc1)C
  • InChi: 1S/C21H22N4O2S/c1-4-16(20(26)22-12-15-7-5-13(2)6-8-15)25-21(27)18-11-19-17(9-10-28-19)24(18)14(3)23-25/h5-11,16H,4,12H2,1-3H3,(H,22,26)
  • InChiKey: BUFCMKDVBYTHPV-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
Entamoeba histolytica cysteine proteinase, putative 0.0464 0.2008 0.9207
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.058 0.2569 0.7261
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0489 0.2129 0.5237
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0172 0.0608 0.0608
Loa Loa (eye worm) hypothetical protein 0.0172 0.0608 0.0608
Brugia malayi Papain family cysteine protease containing protein 0.0197 0.0728 0.0728
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0489 0.2129 0.5237
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0084 0.0018
Entamoeba histolytica cysteine protease, putative 0.0197 0.0728 0.0793
Schistosoma mansoni hypothetical protein 0.0304 0.1242 0.1183
Brugia malayi Cathepsin L-like precursor 0.0489 0.2129 0.2129
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.058 0.2569 0.7261
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0304 0.1242 0.1242
Brugia malayi TAR-binding protein 0.0063 0.0084 0.0084
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0172 0.0608 0.0608
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.058 0.2569 0.7261
Echinococcus multilocularis cathepsin b 0.2129 1 1
Onchocerca volvulus 0.0489 0.2129 1
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0175 0.0624 0.0109
Entamoeba histolytica cysteine protease, putative 0.0197 0.0728 0.0793
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0464 0.2008 0.4822
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0489 0.2129 0.2076
Echinococcus granulosus cathepsin b 0.2129 1 1
Loa Loa (eye worm) hypothetical protein 0.0172 0.0608 0.0608
Trypanosoma cruzi cysteine peptidase, putative 0.058 0.2569 0.2519
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0175 0.0624 0.0561
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0197 0.0728 0.192
Trypanosoma cruzi cysteine proteinase, putative 0.0197 0.0728 0.0666
Loa Loa (eye worm) hypothetical protein 0.0464 0.2008 0.2008
Schistosoma mansoni cathepsin S (C01 family) 0.0172 0.0608 0.0545
Entamoeba histolytica cysteine proteinase, putative 0.0197 0.0728 0.0793
Brugia malayi cathepsin L-like precursor 0.0464 0.2008 0.2008
Trypanosoma brucei cysteine peptidase C (CPC) 0.0777 0.3513 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0489 0.2129 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0555 0.2448 0.2397
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0777 0.3513 1
Toxoplasma gondii preprocathepsin c precursor, putative 0.0172 0.0608 0.157
Brugia malayi Papain family cysteine protease containing protein 0.0172 0.0608 0.0608
Brugia malayi cathepsin F-like cysteine proteinase 0.0172 0.0608 0.0608
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0489 0.2129 0.5237
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0172 0.0608 0.0545
Brugia malayi Cathepsin L-like precursor 0.0489 0.2129 0.2129
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0489 0.2129 0.5237
Brugia malayi Cathepsin L-like precursor 0.0489 0.2129 0.2129
Toxoplasma gondii cathepsin CPC2 0.0172 0.0608 0.157
Entamoeba histolytica cysteine protease, putative 0.0197 0.0728 0.0793
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0084 0.0084
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0489 0.2129 0.5237
Brugia malayi fibroinase precursor 0.0172 0.0608 0.0608
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.058 0.2569 0.7261
Brugia malayi RNA, U transporter 1 0.0081 0.0172 0.0172
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0172 0.0608 0.0545
Loa Loa (eye worm) hypothetical protein 0.0172 0.0608 0.0608
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0172 0.0608 0.0545
Schistosoma mansoni cathepsin B (C01 family) 0.0172 0.0608 0.0545
Toxoplasma gondii cathepsin B 0.0777 0.3513 1
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0172 0.0608 0.0545
Entamoeba histolytica cysteine protease, putative 0.0197 0.0728 0.0793
Trypanosoma cruzi cysteine peptidase, putative 0.058 0.2569 0.2519
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.058 0.2569 0.7261
Echinococcus multilocularis cathepsin L 0.0197 0.0728 0.0666
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0084 0.0018
Loa Loa (eye worm) cathepsin B 0.0777 0.3513 0.3513
Giardia lamblia Cathepsin B precursor 0.0777 0.3513 1
Brugia malayi prolyl oligopeptidase family protein 0.0175 0.0624 0.0624
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0489 0.2129 0.5237
Entamoeba histolytica cysteine protease, putative 0.0197 0.0728 0.0793
Brugia malayi cathepsin Z-like cysteine proteinase 0.0172 0.0608 0.0608
Onchocerca volvulus 0.0489 0.2129 1
Schistosoma mansoni cathepsin F (C01 family) 0.0489 0.2129 0.2076
Brugia malayi cathepsin L precursor 0.0172 0.0608 0.0608
Plasmodium vivax vivapain-2 0.0489 0.2129 1
Brugia malayi Cathepsin L-like precursor 0.0489 0.2129 0.2129
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.2129 1 1
Trypanosoma cruzi cysteine proteinase, putative 0.0197 0.0728 0.0666
Toxoplasma gondii cathepsin CPL 0.0489 0.2129 0.5985
Leishmania major cathepsin L-like protease 0.058 0.2569 0.7261
Echinococcus multilocularis cathepsin L cysteine protease 0.0489 0.2129 0.2076
Trypanosoma cruzi cysteine peptidase, putative 0.058 0.2569 0.2519
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0489 0.2129 0.5237
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0197 0.0728 0.0415
Entamoeba histolytica cysteine proteinase 2 0.0197 0.0728 0.0793
Echinococcus granulosus cathepsin l cysteine peptidase 0.0489 0.2129 0.2076
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0489 0.2129 0.5237
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0197 0.0728 0.0666
Entamoeba histolytica cysteine proteinase, putative 0.0197 0.0728 0.0793
Echinococcus multilocularis cathepsin L 0.0172 0.0608 0.0545
Entamoeba histolytica cysteine proteinase 1, putative 0.0197 0.0728 0.0793
Echinococcus granulosus snurportin 1 0.0304 0.1242 0.1183
Trypanosoma cruzi major cysteine proteinase, putative 0.0172 0.0608 0.0545
Echinococcus granulosus cathepsin L 0.0197 0.0728 0.0666
Echinococcus granulosus cathepsin L cysteine proteinase 0.0489 0.2129 0.2076
Leishmania major cathepsin L-like protease 0.058 0.2569 0.7261
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0489 0.2129 0.5237
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0489 0.2129 0.5237
Giardia lamblia Cathepsin B precursor 0.0777 0.3513 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0489 0.2129 0.2076
Loa Loa (eye worm) cysteine protease 0.0489 0.2129 0.2129
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0172 0.0608 0.0545
Loa Loa (eye worm) hypothetical protein 0.0464 0.2008 0.2008
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0489 0.2129 1
Loa Loa (eye worm) RNA binding protein 0.0063 0.0084 0.0084
Entamoeba histolytica cysteine proteinase, putative 0.0489 0.2129 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.2129 1 1
Toxoplasma gondii cathepsin CPC1 0.0172 0.0608 0.157
Echinococcus multilocularis cysteine protease 0.0489 0.2129 0.2076
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.058 0.2569 0.7261
Plasmodium falciparum cysteine proteinase falcipain 1 0.0197 0.0728 0.0793
Echinococcus granulosus cathepsin b 0.2129 1 1
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0172 0.0608 0.0545
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0489 0.2129 0.5237
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0197 0.0728 0.0666
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0084 0.0018
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0197 0.0728 0.0666
Loa Loa (eye worm) hypothetical protein 0.0489 0.2129 0.2129
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.2129 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0489 0.2129 0.5237
Brugia malayi Papain family cysteine protease containing protein 0.0172 0.0608 0.0608
Entamoeba histolytica cysteine protease, putative 0.0197 0.0728 0.0793
Schistosoma mansoni cathepsin C 0.0172 0.0608 0.0545
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0777 0.3513 0.3469
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0489 0.2129 0.2076
Echinococcus granulosus cathepsin L 0.0172 0.0608 0.0545
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0464 0.2008 0.4822
Echinococcus granulosus tar DNA binding protein 0.0063 0.0084 0.0018
Trypanosoma cruzi major cysteine proteinase, putative 0.0263 0.1047 0.0987
Loa Loa (eye worm) hypothetical protein 0.2129 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0197 0.0728 0.192
Onchocerca volvulus Cathepsin L homolog 0.0489 0.2129 1
Brugia malayi prolyl oligopeptidase family protein 0.0059 0.0067 0.0067
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0489 0.2129 0.5237
Echinococcus granulosus cysteine protease 0.0197 0.0728 0.0666
Brugia malayi RNA binding protein 0.0063 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.0464 0.2008 0.2008
Plasmodium vivax vivapain-2 0.0489 0.2129 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.058 0.2569 0.7261
Onchocerca volvulus 0.0489 0.2129 1
Giardia lamblia Cathepsin B precursor 0.0777 0.3513 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0489 0.2129 1
Echinococcus granulosus cathepsin L cysteine protease 0.0197 0.0728 0.0666
Brugia malayi Papain family cysteine protease containing protein 0.0197 0.0728 0.0728
Trypanosoma cruzi cysteine peptidase, putative 0.0489 0.2129 0.2076
Entamoeba histolytica cysteine protease, putative 0.0197 0.0728 0.0793
Trypanosoma cruzi cruzipain precursor, putative 0.058 0.2569 0.2519
Leishmania major cathepsin L-like protease 0.058 0.2569 0.7261
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0489 0.2129 0.5237
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0489 0.2129 0.5237
Entamoeba histolytica cysteine protease, putative 0.0197 0.0728 0.0793
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0489 0.2129 0.5237
Entamoeba histolytica cysteine protease, putative 0.0197 0.0728 0.0793
Loa Loa (eye worm) hypothetical protein 0.0172 0.0608 0.0608
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.058 0.2569 0.7261
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0489 0.2129 0.5237
Onchocerca volvulus 0.0489 0.2129 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0489 0.2129 0.5237
Onchocerca volvulus 0.0489 0.2129 1
Echinococcus multilocularis cathepsin b 0.2129 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.2129 1 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0084 0.0018
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0172 0.0608 0.0608
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0084 0.0018
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0084 0.0084
Schistosoma mansoni cathepsin F (C01 family) 0.0464 0.2008 0.1955
Brugia malayi Papain family cysteine protease containing protein 0.0172 0.0608 0.0608
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0084 0.0084
Entamoeba histolytica cysteine proteinase, putative 0.0197 0.0728 0.0793
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0777 0.3513 1
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0172 0.0608 0.0608
Schistosoma mansoni cathepsin F (C01 family) 0.0489 0.2129 0.2076
Loa Loa (eye worm) ctsf protein 0.0489 0.2129 0.2129
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0489 0.2129 0.5237
Plasmodium vivax vivapain-1 0.0197 0.0728 0.0793
Loa Loa (eye worm) hypothetical protein 0.0172 0.0608 0.0608
Leishmania major cathepsin L-like protease 0.0489 0.2129 0.5985
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0084 0.0018
Brugia malayi Cathepsin L-like precursor 0.0464 0.2008 0.2008
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0175 0.0624 0.0561
Brugia malayi cathepsin Z-like cysteine proteinase 0.0172 0.0608 0.0608
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0489 0.2129 0.2129
Brugia malayi Cathepsin L-like precursor 0.0489 0.2129 0.2129
Loa Loa (eye worm) fibroinase 0.0489 0.2129 0.2129
Echinococcus granulosus cathepsin l1 0.0464 0.2008 0.1955
Entamoeba histolytica cysteine protease, putative 0.0489 0.2129 1
Leishmania major cathepsin L-like protease 0.0489 0.2129 0.5985
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0197 0.0728 0.0415
Echinococcus multilocularis snurportin 1 0.0304 0.1242 0.1183
Entamoeba histolytica cysteine proteinase, putative 0.0489 0.2129 1
Entamoeba histolytica cysteine protease, putative 0.0197 0.0728 0.0793
Leishmania major cathepsin L-like protease 0.0489 0.2129 0.5985
Onchocerca volvulus Cathepsin L homolog 0.0489 0.2129 1
Entamoeba histolytica cysteine protease, putative 0.0197 0.0728 0.0793
Loa Loa (eye worm) hypothetical protein 0.0172 0.0608 0.0608
Entamoeba histolytica cysteine proteinase, putative 0.0197 0.0728 0.0793
Onchocerca volvulus 0.0464 0.2008 0.9207
Brugia malayi Cathepsin L-like precursor 0.0464 0.2008 0.2008
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0777 0.3513 0.3469
Entamoeba histolytica cysteine protease, putative 0.0197 0.0728 0.0793
Brugia malayi cathepsin L-like cysteine proteinase 0.0172 0.0608 0.0608
Leishmania major cysteine peptidase A (CPA) 0.0489 0.2129 0.5985
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0489 0.2129 0.5237
Onchocerca volvulus 0.0489 0.2129 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0489 0.2129 0.2129
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0489 0.2129 0.5237
Onchocerca volvulus Cathepsin F homolog 0.0489 0.2129 1
Trypanosoma cruzi cysteine peptidase, putative 0.0197 0.0728 0.0666
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.058 0.2569 0.7261
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0489 0.2129 0.5237
Plasmodium vivax unspecified product 0.0197 0.0728 0.0793
Leishmania major cathepsin L-like protease 0.0489 0.2129 0.5985
Echinococcus granulosus cathepsin l1 0.0489 0.2129 0.2076
Leishmania major cathepsin L-like protease 0.0489 0.2129 0.5985
Brugia malayi Cathepsin L-like precursor 0.0489 0.2129 0.2129
Echinococcus multilocularis cysteine protease 0.0489 0.2129 0.2076
Loa Loa (eye worm) prolyl oligopeptidase 0.0175 0.0624 0.0624
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0175 0.0624 0.0561
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0172 0.0608 0.0545
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.058 0.2569 0.7261
Brugia malayi Papain family cysteine protease containing protein 0.0489 0.2129 0.2129
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0489 0.2129 0.5237
Trypanosoma cruzi cysteine protease, putative 0.0197 0.0728 0.0666
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0489 0.2129 0.5237
Entamoeba histolytica cysteine protease, putative 0.0197 0.0728 0.0793
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0172 0.0608 0.0545
Onchocerca volvulus 0.0489 0.2129 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.058 0.2569 0.7261
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0197 0.0728 0.0666
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.2129 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0489 0.2129 0.5237
Brugia malayi Cathepsin L-like cysteine proteinase 0.0464 0.2008 0.2008
Plasmodium vivax vivapain-3 0.0197 0.0728 0.0793
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0172 0.0608 0.0545

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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