Detailed information for compound 37173

Basic information

Technical information
  • TDR Targets ID: 37173
  • Name: (6E)-6-[(3-fluorophenyl)methylidene]-8,9-dihy dro-7H-benzo[7]annulen-5-one
  • MW: 266.31 | Formula: C18H15FO
  • H donors: 0 H acceptors: 1 LogP: 4.73 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)/C=C/1\CCCc2c(C1=O)cccc2
  • InChi: 1S/C18H15FO/c19-16-9-3-5-13(12-16)11-15-8-4-7-14-6-1-2-10-17(14)18(15)20/h1-3,5-6,9-12H,4,7-8H2/b15-11+
  • InChiKey: RAZAJNVRLMAZGG-RVDMUPIBSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (6E)-6-[(3-fluorophenyl)methylene]-8,9-dihydro-7H-benzo[7]annulen-5-one
  • (6E)-6-(3-fluorobenzylidene)-8,9-dihydro-7H-benzocyclohepten-5-one
  • 6-[(3-fluorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
  • 6-[(3-fluorophenyl)methylene]-8,9-dihydro-7H-benzo[7]annulen-5-one
  • 6-(3-fluorobenzylidene)-8,9-dihydro-7H-benzo[7]annulen-5-one
  • (6E)-6-(3-fluorobenzylidene)-8,9-dihydro-7H-benzo[7]annulen-5-one
  • NCI60_031593
  • 2-(3-Fluorophenylmethylene)-1benzosuberone
  • AIDS-046475
  • AIDS046475
  • NSC687673

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 0.0287 0.1544 0.4772
Onchocerca volvulus 0.0287 0.1544 0.7866
Onchocerca volvulus 0.0341 0.1953 1
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0198 0.0882 0.1537
Plasmodium vivax vivapain-2 0.0287 0.1544 1
Brugia malayi Papain family cysteine protease containing protein 0.0167 0.0649 0.0649
Leishmania major cysteine peptidase A (CPA) 0.0287 0.1544 0.4043
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0287 0.1544 0.4888
Trypanosoma brucei cysteine peptidase C (CPC) 0.0496 0.3119 1
Entamoeba histolytica cysteine protease, putative 0.0167 0.0649 0.4054
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0496 0.3119 0.3119
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1411 1 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0198 0.0882 0.0882
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0086 0.0038 0.0249
Giardia lamblia Cathepsin B precursor 0.0496 0.3119 1
Entamoeba histolytica cysteine protease, putative 0.0167 0.0649 0.4054
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0198 0.0882 0.0882
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0287 0.1544 0.4772
Leishmania major cathepsin L-like protease 0.0287 0.1544 0.4043
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.057 0.368 0.368
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0287 0.1544 0.4888
Echinococcus multilocularis cathepsin L cysteine protease 0.0287 0.1544 0.1512
Plasmodium vivax vivapain-1 0.0167 0.0649 0.4202
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0287 0.1544 0.4888
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0167 0.0649 0.18
Plasmodium vivax calpain, putative 0.0198 0.0882 0.571
Loa Loa (eye worm) hypothetical protein 0.0287 0.1544 0.1544
Trypanosoma cruzi cysteine peptidase, putative 0.0167 0.0649 0.0649
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0167 0.0649 0.0649
Trypanosoma cruzi cysteine protease, putative 0.0167 0.0649 0.0649
Echinococcus granulosus cathepsin L cysteine protease 0.0167 0.0649 0.0613
Schistosoma mansoni gamma-secretase subunit aph-1 0.0245 0.123 0.123
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.057 0.368 0.368
Echinococcus granulosus cathepsin l1 0.0205 0.0934 0.0899
Plasmodium vivax unspecified product 0.0167 0.0649 0.4202
Brugia malayi calpain family protein 1 0.0539 0.3445 0.3445
Loa Loa (eye worm) hypothetical protein 0.0539 0.3445 0.3445
Brugia malayi calpain 7 0.0198 0.0882 0.0882
Trypanosoma cruzi cysteine proteinase, putative 0.0167 0.0649 0.0649
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0287 0.1544 0.1544
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0287 0.1544 0.4888
Plasmodium falciparum cysteine proteinase falcipain 1 0.0167 0.0649 0.4054
Plasmodium vivax serine-repeat antigen (SERA) 0.0086 0.0038 0.0249
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0205 0.0934 0.2906
Entamoeba histolytica cysteine proteinase, putative 0.0205 0.0934 0.5946
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0287 0.1544 0.4888
Echinococcus multilocularis calpain 7 (C02 family) 0.0198 0.0882 0.0847
Brugia malayi cathepsin Z-like cysteine proteinase 0.0086 0.0038 0.0038
Loa Loa (eye worm) fibroinase 0.0287 0.1544 0.1544
Schistosoma mansoni calpain (C02 family) 0.0198 0.0882 0.0882
Echinococcus multilocularis cathepsin L 0.0167 0.0649 0.0613
Brugia malayi gamma-secretase subunit aph-1 0.0245 0.123 0.123
Leishmania major cathepsin L-like protease 0.0287 0.1544 0.4043
Trypanosoma brucei antigen, putative 0.0198 0.0882 0.2573
Entamoeba histolytica cysteine protease, putative 0.0167 0.0649 0.4054
Loa Loa (eye worm) ctsf protein 0.0287 0.1544 0.1544
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0287 0.1544 0.4888
Plasmodium vivax vivapain-2 0.0287 0.1544 1
Entamoeba histolytica cysteine protease, putative 0.0167 0.0649 0.4054
Toxoplasma gondii cathepsin CPL 0.0287 0.1544 0.4888
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0086 0.0038 0.0038
Entamoeba histolytica cysteine proteinase, putative 0.0287 0.1544 1
Leishmania major cathepsin L-like protease 0.0287 0.1544 0.4043
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0287 0.1544 0.4888
Schistosoma mansoni Mername-AA248 (C02 family) 0.0198 0.0882 0.0882
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0086 0.0038 0.0038
Brugia malayi cathepsin L-like cysteine proteinase 0.0086 0.0038 0.0038
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0086 0.0038 0.0249
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0086 0.0038 0.0249
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.1411 1 1
Trypanosoma brucei calpain-like protein, putative 0.0198 0.0882 0.2573
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0287 0.1544 0.4888
Entamoeba histolytica cysteine proteinase, putative 0.0167 0.0649 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0287 0.1544 0.4772
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0086 0.0038 0.0038
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.0245 0.123 0.123
Brugia malayi calpain 5 0.0144 0.0475 0.0475
Loa Loa (eye worm) cysteine protease 0.0287 0.1544 0.1544
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0086 0.0038 0.0249
Onchocerca volvulus Cathepsin L homolog 0.0287 0.1544 0.7866
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0086 0.0038 0.0038
Schistosoma mansoni calpain-7 (C02 family) 0.0198 0.0882 0.0882
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0287 0.1544 0.4888
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0496 0.3119 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0287 0.1544 0.4888
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0198 0.0882 0.1537
Loa Loa (eye worm) cathepsin B 0.0496 0.3119 0.3119
Brugia malayi Papain family cysteine protease containing protein 0.0287 0.1544 0.1544
Onchocerca volvulus 0.0287 0.1544 0.7866
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0086 0.0038 0.0249
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0086 0.0038 0.0038
Echinococcus granulosus cathepsin b 0.1411 1 1
Trypanosoma brucei kinesin, putative 0.0144 0.0475 0.1224
Echinococcus multilocularis calpain 5 0.0198 0.0882 0.0847
Echinococcus granulosus cysteine protease 0.0167 0.0649 0.0613
Entamoeba histolytica cysteine protease, putative 0.0167 0.0649 0.4054
Loa Loa (eye worm) calpain 5 0.0144 0.0475 0.0475
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0198 0.0882 0.0882
Echinococcus granulosus cathepsin l1 0.0287 0.1544 0.1512
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0086 0.0038 0.0038
Echinococcus multilocularis hypothetical protein 0.0198 0.0882 0.0847
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0287 0.1544 0.4772
Echinococcus granulosus cathepsin l cysteine peptidase 0.0287 0.1544 0.1512
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0287 0.1544 0.4888
Brugia malayi Cathepsin L-like precursor 0.0287 0.1544 0.1544
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0086 0.0038 0.0038
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0287 0.1544 0.1512
Loa Loa (eye worm) hypothetical protein 0.0086 0.0038 0.0038
Echinococcus granulosus gamma secretase subunit aph 1 0.0245 0.123 0.1196
Onchocerca volvulus Cathepsin L homolog 0.0287 0.1544 0.7866
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0287 0.1544 0.1544
Schistosoma mansoni calpain C (C02 family) 0.0198 0.0882 0.0882
Trypanosoma cruzi kinesin, putative 0.0144 0.0475 0.0475
Echinococcus granulosus cathepsin L 0.0167 0.0649 0.0613
Loa Loa (eye worm) hypothetical protein 0.0205 0.0934 0.0934
Loa Loa (eye worm) calpain family protein 1 0.0539 0.3445 0.3445
Brugia malayi Cathepsin L-like precursor 0.0287 0.1544 0.1544
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0198 0.0882 0.1537
Plasmodium vivax vivapain-3 0.0167 0.0649 0.4202
Onchocerca volvulus 0.0287 0.1544 0.7866
Trypanosoma cruzi cysteine peptidase, putative 0.0287 0.1544 0.1544
Onchocerca volvulus 0.0287 0.1544 0.7866
Brugia malayi Cathepsin L-like precursor 0.0287 0.1544 0.1544
Schistosoma mansoni cathepsin F (C01 family) 0.0287 0.1544 0.1544
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0205 0.0934 0.2906
Brugia malayi Papain family cysteine protease containing protein 0.0086 0.0038 0.0038
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0287 0.1544 0.4772
Brugia malayi Cathepsin L-like precursor 0.0287 0.1544 0.1544
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0287 0.1544 0.4888
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0198 0.0882 0.2573
Brugia malayi Cathepsin L-like precursor 0.0287 0.1544 0.1544
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0198 0.0882 0.0882
Onchocerca volvulus 0.0287 0.1544 0.7866
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0496 0.3119 0.3119
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0198 0.0882 0.0882
Echinococcus multilocularis cysteine protease 0.0287 0.1544 0.1512
Schistosoma mansoni cathepsin S (C01 family) 0.0086 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0086 0.0038 0.0038
Entamoeba histolytica cysteine protease, putative 0.0167 0.0649 0.4054
Echinococcus multilocularis calpain 0.0198 0.0882 0.0847
Echinococcus granulosus calpain 5 0.0198 0.0882 0.0847
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0287 0.1544 1
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0086 0.0038 0.0249
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0167 0.0649 0.0649
Schistosoma mansoni cathepsin B (C01 family) 0.0086 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0086 0.0038 0.0038
Echinococcus granulosus calpain 7 C02 family 0.0198 0.0882 0.0847
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0287 0.1544 0.4888
Trypanosoma cruzi Aph-1 protein, putative 0.0095 0.0107 0.0107
Brugia malayi Papain family cysteine protease containing protein 0.0086 0.0038 0.0038
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0287 0.1544 0.4772
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0287 0.1544 0.4888
Entamoeba histolytica cysteine protease, putative 0.0167 0.0649 0.4054
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.1411 1 1
Echinococcus granulosus calpain A 0.0198 0.0882 0.0847
Schistosoma mansoni cathepsin F (C01 family) 0.0205 0.0934 0.0934
Brugia malayi Cathepsin L-like precursor 0.0205 0.0934 0.0934
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0287 0.1544 0.4772
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.057 0.368 0.3656
Echinococcus granulosus calpain 0.0198 0.0882 0.0847
Entamoeba histolytica cysteine proteinase 1, putative 0.0167 0.0649 0.4054
Trypanosoma cruzi major cysteine proteinase, putative 0.0086 0.0038 0.0038
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0167 0.0649 0.0649
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0287 0.1544 0.4888
Onchocerca volvulus Cathepsin F homolog 0.0287 0.1544 0.7866
Entamoeba histolytica protein kinase, putative 0.0144 0.0475 0.2902
Loa Loa (eye worm) hypothetical protein 0.0485 0.3039 0.3039
Brugia malayi cathepsin F-like cysteine proteinase 0.0086 0.0038 0.0038
Entamoeba histolytica cysteine proteinase, putative 0.0167 0.0649 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0167 0.0649 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0167 0.0649 0.4054
Giardia lamblia Cathepsin B precursor 0.0496 0.3119 1
Trypanosoma cruzi Aph-1 protein, putative 0.0095 0.0107 0.0107
Giardia lamblia Cathepsin B precursor 0.0496 0.3119 1
Echinococcus multilocularis cysteine protease 0.0287 0.1544 0.1512
Loa Loa (eye worm) hypothetical protein 0.0205 0.0934 0.0934
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0287 0.1544 0.4888
Plasmodium falciparum cysteine proteinase falcipain 3 0.0287 0.1544 1
Loa Loa (eye worm) hypothetical protein 0.1411 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0287 0.1544 0.1544
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0287 0.1544 0.4888
Leishmania major cathepsin L-like protease 0.0287 0.1544 0.4043
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0086 0.0038 0.0249
Brugia malayi cathepsin L precursor 0.0086 0.0038 0.0038
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0539 0.3445 0.3445
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0198 0.0882 0.0882
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0287 0.1544 0.4888
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0086 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0341 0.1953 0.1953
Entamoeba histolytica cysteine proteinase, putative 0.0287 0.1544 1
Echinococcus granulosus calpain A 0.0571 0.3683 0.3659
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0287 0.1544 0.4888
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0086 0.0038 0.0249
Entamoeba histolytica cysteine proteinase 2 0.0167 0.0649 0.4054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1411 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0167 0.0649 0.18
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0086 0.0038 0.0038
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0086 0.0038 0.0038
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0496 0.3119 1
Brugia malayi Papain family cysteine protease containing protein 0.0086 0.0038 0.0038
Echinococcus granulosus cathepsin b 0.1411 1 1
Entamoeba histolytica cysteine protease, putative 0.0167 0.0649 0.4054
Onchocerca volvulus 0.0287 0.1544 0.7866
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0198 0.0882 0.0882
Loa Loa (eye worm) hypothetical protein 0.0086 0.0038 0.0038
Entamoeba histolytica cysteine protease, putative 0.0167 0.0649 0.4054
Brugia malayi Cathepsin L-like precursor 0.0205 0.0934 0.0934
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0287 0.1544 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0167 0.0649 0.1982
Echinococcus multilocularis cathepsin L cysteine protease 0.0287 0.1544 0.1512
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0167 0.0649 0.1982
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.057 0.368 0.3656
Entamoeba histolytica cysteine protease, putative 0.0167 0.0649 0.4054
Echinococcus multilocularis cathepsin b 0.1411 1 1
Onchocerca volvulus 0.0205 0.0934 0.4677
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0086 0.0038 0.0249
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0086 0.0038 0.0249
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0205 0.0934 0.0934
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0287 0.1544 0.4772
Brugia malayi Papain family cysteine protease containing protein 0.0167 0.0649 0.0649
Echinococcus multilocularis calpain family protein 1, d 0.0395 0.2359 0.233
Trypanosoma cruzi cruzipain precursor, putative 0.0287 0.1544 0.1544
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0287 0.1544 0.4888
Leishmania major cathepsin L-like protease 0.0287 0.1544 0.4043
Brugia malayi calpain family protein 1 0.0539 0.3445 0.3445
Trypanosoma brucei calpain-like protein, putative 0.0198 0.0882 0.2573
Echinococcus multilocularis gamma secretase subunit aph 1 0.0245 0.123 0.1196
Loa Loa (eye worm) calpain family protein 1 0.0395 0.2359 0.2359
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0198 0.0882 0.0882
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0086 0.0038 0.0038
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0287 0.1544 0.4888
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0287 0.1544 0.4888
Trypanosoma cruzi kinesin, putative 0.0144 0.0475 0.0475
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0198 0.0882 0.0882
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0287 0.1544 0.1512
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0287 0.1544 0.4888
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1411 1 1
Entamoeba histolytica cysteine protease, putative 0.0167 0.0649 0.4054
Leishmania major cathepsin L-like protease 0.0287 0.1544 0.4043
Loa Loa (eye worm) hypothetical protein 0.0086 0.0038 0.0038
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0086 0.0038 0.0038
Echinococcus multilocularis calpain A 0.0571 0.3683 0.3659
Entamoeba histolytica cysteine protease, putative 0.0167 0.0649 0.4054
Schistosoma mansoni cathepsin F (C01 family) 0.0287 0.1544 0.1544
Trypanosoma cruzi cysteine peptidase, putative 0.0287 0.1544 0.1544
Loa Loa (eye worm) hypothetical protein 0.0205 0.0934 0.0934
Brugia malayi Cathepsin L-like precursor 0.0287 0.1544 0.1544
Entamoeba histolytica calpain large subunit domain III containing protein 0.0144 0.0475 0.2902
Trypanosoma brucei calpain-like protein, putative 0.0198 0.0882 0.2573
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0198 0.0882 0.2573
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0287 0.1544 0.4772
Leishmania major cathepsin L-like protease 0.0287 0.1544 0.4043
Schistosoma mansoni cathepsin C 0.0086 0.0038 0.0038
Brugia malayi cathepsin L-like precursor 0.0205 0.0934 0.0934
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0198 0.0882 0.0882
Trypanosoma cruzi cysteine peptidase, putative 0.0287 0.1544 0.1544
Brugia malayi cathepsin Z-like cysteine proteinase 0.0086 0.0038 0.0038
Brugia malayi fibroinase precursor 0.0086 0.0038 0.0038
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0287 0.1544 0.4772
Trypanosoma cruzi major cysteine proteinase, putative 0.0086 0.0038 0.0038
Leishmania major cathepsin L-like protease 0.0287 0.1544 0.4043
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0287 0.1544 0.4888
Loa Loa (eye worm) hypothetical protein 0.0395 0.2359 0.2359
Brugia malayi Cathepsin L-like cysteine proteinase 0.0205 0.0934 0.0934
Plasmodium vivax unspecified product 0.0086 0.0038 0.0249
Onchocerca volvulus 0.0287 0.1544 0.7866
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0086 0.0038 0.0038
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0287 0.1544 0.4888
Trypanosoma brucei calpain-like protein, putative 0.0198 0.0882 0.2573
Trypanosoma cruzi cysteine proteinase, putative 0.0167 0.0649 0.0649
Toxoplasma gondii cathepsin B 0.0496 0.3119 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0287 0.1544 0.1512
Loa Loa (eye worm) calpain 0.0198 0.0882 0.0882
Entamoeba histolytica cysteine protease, putative 0.0287 0.1544 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0167 0.0649 0.0649
Plasmodium vivax serine-repeat antigen (SERA) 0.0086 0.0038 0.0249
Echinococcus multilocularis cathepsin b 0.1411 1 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.0038 0.0038
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0287 0.1544 0.4772
Schistosoma mansoni calpain-7 (C02 family) 0.0198 0.0882 0.0882
Entamoeba histolytica cysteine protease, putative 0.0167 0.0649 0.4054

Activities

Activity type Activity value Assay description Source Reference
AP (functional) = 11.2 uM Average potency against P388 cells ChEMBL. 10212121
AP (functional) = 11.2 uM Average potency against P388 cells ChEMBL. 10212121
AP (functional) = 47 uM Average potency against CEM cells ChEMBL. 10212121
AP (functional) = 47 uM Average potency against CEM cells ChEMBL. 10212121
AP (functional) = 66 uM Average potency against Molt4/C8cells ChEMBL. 10212121
AP (functional) = 66 uM Average potency against Molt4/C8cells ChEMBL. 10212121
AP (functional) = 85.2 uM Average potency against L1210 cells ChEMBL. 10212121
AP (functional) = 85.2 uM Average potency against L1210 cells ChEMBL. 10212121
GI50 (functional) -4.935 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.802 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.788 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.787 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.771 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.759 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.747 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.719 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.69 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.668 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 10.9 uM Inhibitory activity was tested against P388 cells ChEMBL. 10212121
IC50 (functional) = 10.9 uM Inhibitory activity was tested against P388 cells ChEMBL. 10212121
IC50 (functional) = 11.2 uM Inhibitory activity was tested against CEM cells ChEMBL. 10212121
IC50 (functional) = 11.2 uM Inhibitory activity was tested against CEM cells ChEMBL. 10212121
IC50 (functional) = 28.3 uM Inhibitory activity was tested against Molt4/C8 cells ChEMBL. 10212121
IC50 (functional) = 28.3 uM Inhibitory activity was tested against Molt4/C8 cells ChEMBL. 10212121
IC50 (functional) = 134 uM Inhibitory activity was tested against L1210 cells ChEMBL. 10212121
IC50 (functional) = 134 uM Inhibitory activity was tested against L1210 cells ChEMBL. 10212121
MG MID (functional) = 16.2 uM Tested against human tumor cell lines, mean graph mid point values(MG MID) are determined. ChEMBL. 10212121

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 10212121
Mus musculus ChEMBL23 10212121

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

1 literature reference was collected for this gene.

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