Detailed information for compound 1791352

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 450.987 | Formula: C23H23ClN6S
  • H donors: 1 H acceptors: 3 LogP: 4.74 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1scc(n1)c1ccc(cc1)CCN1CCN(CC1)c1nc2ccccc2nc1Cl
  • InChi: 1S/C23H23ClN6S/c24-21-22(27-19-4-2-1-3-18(19)26-21)30-13-11-29(12-14-30)10-9-16-5-7-17(8-6-16)20-15-31-23(25)28-20/h1-8,15H,9-14H2,(H2,25,28)
  • InChiKey: IXBGJKDOIYOBBV-UHFFFAOYSA-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
Loa Loa (eye worm) hypothetical protein 0.0049 0.2996 0.9767
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.1695 0.6145
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.1758 0.3727
Trypanosoma cruzi cysteine protease, putative 0.0017 0.0148 0.0148
Brugia malayi Cathepsin L-like precursor 0.0033 0.1598 0.2986
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0046 0.2759 0.2759
Schistosoma mansoni hypothetical protein 0.0033 0.1608 0.3004
Echinococcus granulosus cathepsin l cysteine peptidase 0.0033 0.1598 0.2986
Entamoeba histolytica cysteine proteinase, putative 0.0033 0.1598 0.2786
Echinococcus multilocularis cysteine protease 0.0033 0.1598 0.2986
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0127 1 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0046 0.2759 0.2759
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.1088 0.3945
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.005 0.3067 1
Leishmania major cathepsin L-like protease 0.0033 0.1598 0.1598
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.1598 0.5793
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.1598 0.5793
Brugia malayi Cathepsin L-like precursor 0.0033 0.1598 0.2986
Trypanosoma cruzi cysteine peptidase, putative 0.0127 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0033 0.1598 0.2986
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.2759 1
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0037 0.1913 0.1913
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0037 0.1913 0.1913
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0046 0.2759 0.5155
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.3067 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.1598 0.5793
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0033 0.1598 0.2986
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.1598 0.5793
Echinococcus multilocularis cysteine protease 0.0033 0.1598 0.2986
Entamoeba histolytica acyl-CoA synthetase, putative 0.005 0.3067 0.561
Brugia malayi Cathepsin L-like precursor 0.0033 0.1598 0.2986
Echinococcus multilocularis expressed protein 0.0026 0.098 0.1832
Mycobacterium ulcerans fatty-acid-CoA ligase 0.005 0.3067 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0127 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.1608 0.5241
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0127 1 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0116 0.9012 0.9012
Mycobacterium ulcerans hypothetical protein 0.005 0.3067 1
Schistosoma mansoni apoferritin-2 0.0026 0.098 0.1832
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0017 0.0148 0.0277
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.1598 0.5793
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0022 0.0571 0.0571
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.1909 0.6922
Brugia malayi Cathepsin L-like cysteine proteinase 0.0022 0.061 0.1139
Schistosoma mansoni apoferritin-2 0.0026 0.098 0.1832
Leishmania major cathepsin L-like protease 0.0033 0.1598 0.1598
Brugia malayi Papain family cysteine protease containing protein 0.0033 0.1598 0.2986
Echinococcus granulosus ferritin 0.0026 0.098 0.1832
Loa Loa (eye worm) hypothetical protein 0.005 0.3067 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0037 0.194 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.1598 0.5793
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.1758 0.3727
Trypanosoma cruzi cysteine peptidase, putative 0.0033 0.1598 0.1598
Brugia malayi Cathepsin L-like precursor 0.0033 0.1598 0.2986
Trypanosoma cruzi cysteine peptidase, putative 0.0127 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.1064 0.3855
Schistosoma mansoni ferritin 0.0026 0.098 0.1832
Onchocerca volvulus 0.0033 0.1598 0.4022
Schistosoma mansoni cathepsin F (C01 family) 0.0022 0.061 0.1139
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0127 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.1909 0.6922
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0046 0.2759 0.5155
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0026 0.098 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.2996 0.5598
Brugia malayi Cathepsin L-like precursor 0.0022 0.061 0.1139
Loa Loa (eye worm) hypothetical protein 0.005 0.3067 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0019 0.0332 0.0332
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0075 0.5352 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.1608 0.3004
Entamoeba histolytica hypothetical protein 0.0075 0.5352 1
Schistosoma mansoni ferritin light chain 0.0026 0.098 0.1832
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.2152 0.78
Echinococcus multilocularis ferritin 0.0026 0.098 0.1832
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0033 0.1598 0.8091
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.1695 0.6145
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0148 0.0277
Leishmania major cathepsin L-like protease 0.0127 1 1
Brugia malayi hypothetical protein 0.0075 0.5352 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.1598 0.521
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0033 0.1598 0.5793
Leishmania major cathepsin L-like protease 0.0127 1 1
Schistosoma mansoni ferritin light chain 0.0026 0.098 0.1832
Echinococcus granulosus cysteine protease 0.0017 0.0148 0.0277
Trypanosoma cruzi major cysteine proteinase, putative 0.01 0.7562 0.7562
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0017 0.0148 0.0148
Trypanosoma cruzi cysteine peptidase, putative 0.0017 0.0148 0.0148
Brugia malayi AMP-binding enzyme family protein 0.005 0.3067 0.5732
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.1088 0.3945
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0017 0.0148 0.0148
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.1598 0.5793
Brugia malayi AMP-binding enzyme family protein 0.005 0.3067 0.5732
Onchocerca volvulus 0.0033 0.1598 0.4022
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.1598 0.5793
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.1598 0.5793
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.1598 0.5793
Brugia malayi cathepsin L-like precursor 0.0022 0.061 0.1139
Echinococcus multilocularis cathepsin L 0.0017 0.0148 0.0277
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.1598 0.5793
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.1598 0.5793
Echinococcus granulosus cathepsin L 0.0017 0.0148 0.0277
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.1598 0.5793
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.005 0.3067 1
Brugia malayi Cathepsin L-like precursor 0.0033 0.1598 0.2986
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.3067 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0033 0.1598 0.2986
Schistosoma mansoni ferritin 0.0026 0.098 0.1832
Entamoeba histolytica hypothetical protein 0.0075 0.5352 1
Loa Loa (eye worm) cysteine protease 0.0033 0.1598 0.521
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0148 0.0277
Onchocerca volvulus Cathepsin L homolog 0.0033 0.1598 0.4022
Onchocerca volvulus Cathepsin L homolog 0.0033 0.1598 0.4022
Loa Loa (eye worm) phosphatidylinositol 3 0.0046 0.2759 0.8994
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0849 0.3078
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0046 0.2759 0.2759
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0046 0.2759 0.5017
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.1598 0.5793
Trypanosoma cruzi cysteine proteinase, putative 0.0017 0.0148 0.0148
Schistosoma mansoni ferritin 0.0026 0.098 0.1832
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0033 0.1598 0.8091
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.1598 0.5793
Echinococcus granulosus cathepsin L cysteine proteinase 0.0033 0.1598 0.2986
Onchocerca volvulus 0.0033 0.1598 0.4022
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.1598 0.5793
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.3067 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.194 0.6325
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0046 0.2759 0.2759
Loa Loa (eye worm) hypothetical protein 0.0022 0.061 0.1987
Trypanosoma cruzi cysteine proteinase, putative 0.0017 0.0148 0.0148
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.1598 0.5793
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.1695 0.6145
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.1303 0.4722
Entamoeba histolytica hypothetical protein 0.0075 0.5352 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.2759 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.005 0.3067 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0846 0.3066
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0046 0.2759 0.2759
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.1392 0.5047
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0127 1 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0046 0.2759 0.2759
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0037 0.194 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.1598 0.5793
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0075 0.5352 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0033 0.1598 0.5793
Onchocerca volvulus 0.0033 0.1598 0.4022
Trypanosoma cruzi cysteine peptidase, putative 0.0127 1 1
Trichomonas vaginalis ferritin, putative 0.0026 0.098 0.3553
Plasmodium vivax vivapain-2 0.0033 0.1598 0.8091
Entamoeba histolytica acyl-coA synthetase, putative 0.005 0.3067 0.561
Loa Loa (eye worm) hypothetical protein 0.0022 0.061 0.1987
Echinococcus granulosus cathepsin L cysteine protease 0.0017 0.0148 0.0277
Schistosoma mansoni cathepsin F (C01 family) 0.0033 0.1598 0.2986
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.1598 0.5793
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.3067 0.3067
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0846 0.3066
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0849 0.3078
Leishmania major cathepsin L-like protease 0.0033 0.1598 0.1598
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0148 0.0537
Entamoeba histolytica hypothetical protein 0.0075 0.5352 1
Schistosoma mansoni transcription factor LCR-F1 0.0075 0.5352 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0017 0.0148 0.0277
Leishmania major cathepsin L-like protease 0.0033 0.1598 0.1598
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0127 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0849 0.3078
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.1909 0.6922
Loa Loa (eye worm) hypothetical protein 0.0037 0.194 0.6325
Plasmodium falciparum cysteine proteinase falcipain 3 0.0033 0.1598 0.8091
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0046 0.2759 0.5155
Onchocerca volvulus 0.005 0.3067 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0033 0.1598 0.521
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0017 0.0148 0.0277
Treponema pallidum bacterioferrin (TpF1) 0.0026 0.098 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.1088 0.3945
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.1598 0.5793
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.1695 0.6145
Trypanosoma cruzi cruzipain precursor, putative 0.0127 1 1
Loa Loa (eye worm) ctsf protein 0.0033 0.1598 0.521
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0127 1 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0046 0.2759 0.5017
Loa Loa (eye worm) hypothetical protein 0.0022 0.061 0.1987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0849 0.3078
Brugia malayi Cathepsin L-like precursor 0.0033 0.1598 0.2986
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.005 0.3067 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.194 0.6325
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0846 0.3066
Leishmania major cathepsin L-like protease 0.0033 0.1598 0.1598
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.2996 0.5598
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0127 1 1
Schistosoma mansoni hypothetical protein 0.0075 0.5352 1
Plasmodium vivax vivapain-2 0.0033 0.1598 0.8091
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.1909 0.6922
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.1695 0.6145
Brugia malayi AMP-binding enzyme family protein 0.005 0.3067 0.5732
Schistosoma mansoni ferritin 0.0026 0.098 0.1832
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.1598 0.5793
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.2996 0.9767
Onchocerca volvulus 0.0033 0.1598 0.4022
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.005 0.3067 1
Loa Loa (eye worm) fibroinase 0.0033 0.1598 0.521
Loa Loa (eye worm) hypothetical protein 0.0037 0.194 0.6325
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.1758 0.3727
Entamoeba histolytica cysteine proteinase, putative 0.0022 0.061 0.0886
Loa Loa (eye worm) hypothetical protein 0.005 0.3067 1
Leishmania major cysteine peptidase A (CPA) 0.0033 0.1598 0.1598
Onchocerca volvulus Cathepsin F homolog 0.0033 0.1598 0.4022
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0046 0.2759 0.5155
Entamoeba histolytica cysteine proteinase, putative 0.0033 0.1598 0.2786
Plasmodium falciparum acyl-CoA synthetase 0.0037 0.194 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0033 0.1598 0.521
Entamoeba histolytica cysteine protease, putative 0.0033 0.1598 0.2786
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.1695 0.6145
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.061 0.221
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.1598 0.5793
Echinococcus multilocularis cathepsin L cysteine protease 0.0033 0.1598 0.2986
Echinococcus granulosus cathepsin l1 0.0022 0.061 0.1139
Toxoplasma gondii target of rapamycin (TOR), putative 0.0034 0.1695 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.194 0.6325
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.1598 0.5793
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.1064 0.3855
Onchocerca volvulus 0.0033 0.1598 0.4022
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0127 1 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0037 0.194 0.4599
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.005 0.3067 1
Schistosoma mansoni cathepsin F (C01 family) 0.0033 0.1598 0.2986
Echinococcus granulosus cathepsin l1 0.0033 0.1598 0.2986
Onchocerca volvulus 0.0033 0.1598 0.4022
Echinococcus granulosus expressed protein 0.0026 0.098 0.1832
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.3067 0.3067
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.005 0.3067 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0127 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.061 0.221
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0127 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.1909 0.6922
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0017 0.0148 0.0148
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0037 0.194 0.4599
Trypanosoma cruzi target of rapamycin kinase 3 0.0037 0.1913 0.1913
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.1695 0.6145
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.3067 0.3067
Brugia malayi Cathepsin L-like precursor 0.0022 0.061 0.1139
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.2759 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.1758 0.3727
Giardia lamblia GTOR 0.0046 0.2759 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0148 0.0537
Entamoeba histolytica acyl-CoA synthetase, putative 0.005 0.3067 0.561

Activities

Activity type Activity value Assay description Source Reference
Imax (functional) = 70 % In vivo inhibition of dopaminergic D2 receptor in Swiss albino Mus musculus (mouse) at 10 mg/kg, ip relative to vehicle-treated control ChEMBL. No reference
Inhibition (binding) Displacement of [3H]ketanserin from 5-HT2A receptor in Rattus norvegicus (rat) cortex membrane homogenates up to 1 uM after 90 min by liquid scintillation counting analysis ChEMBL. No reference
Inhibition (binding) Displacement of [3H]spiperone from dopaminergic D2 receptor in Rattus norvegicus (rat) straitum membrane homogenates up to 1 uM after 60 min by liquid scintillation counting analysis ChEMBL. No reference
Inhibition (binding) = 0 % Displacement of [3H]spiperone from D2 receptor in Rattus norvegicus (rat) straitum membrane homogenates at 100 uM after 60 min by liquid scintillation counting analysis ChEMBL. No reference
Inhibition (binding) = 4 % Displacement of [3H]ketanserin from 5-HT2A receptor in Rattus norvegicus (rat) cortex membrane homogenates at 10 uM after 90 min by liquid scintillation counting analysis ChEMBL. No reference
Inhibition (functional) = 60 % Antagonist activity at mesolimbic dopaminergic D2 receptor in Swiss albino Mus musculus (mouse) assessed as inhibition of apomorphine-induced cage climbing behavior at 10 mg/kg, ip administered 1 hr prior to apomorphine challenge measured after 20 min relative to vehicle-treated control ChEMBL. No reference
Inhibition (functional) = 65 % Antagonist activity at mesolimbic dopaminergic D2 receptor in Swiss albino Mus musculus (mouse) assessed as inhibition of apomorphine-induced cage climbing behavior at 10 mg/kg, ip administered 1 hr prior to apomorphine challenge measured after 10 min relative to vehicle-treated control ChEMBL. No reference
Inhibition (functional) = 70 % Antagonist activity at mesolimbic dopaminergic D2 receptor in Swiss albino Mus musculus (mouse) assessed as inhibition of apomorphine-induced cage climbing behavior at 10 mg/kg, ip administered 1 hr prior to apomorphine challenge measured after 30 min relative to vehicle-treated control ChEMBL. No reference
Inhibition (functional) = 79 % Antagonist activity at central serotonergic 5-HT2A receptor in Swiss albino Mus musculus (mouse) assessed as inhibition of quipazine meleate-induced head twiches at 10 mg/kg, ip administered 1 hr prior to quipazine meleate challenge measured after 30 to 40 min relative to vehicle-treated control ChEMBL. No reference
Inhibition (functional) = 79 % In vivo inhibition of 5-HT2A receptor in Swiss albino Mus musculus (mouse) at 10 mg/kg, ip relative to vehicle-treated control ChEMBL. No reference
Selectivity ratio (functional) = 1.12857 Selectivity ratio of inhibition of 5-HT2A receptor in Swiss albino Mus musculus (mouse) to inhibition of dopaminergic D2 receptor in Swiss albino Mus musculus (mouse) at 10 mg/kg, ip ChEMBL. No reference
TIME (ADMET) = 18.24 s Antagonist activity at nigrostriatal dopaminergic D2 receptor in Swiss albino Mus musculus (mouse) assessed as maximum average cataleptic time at 10 mg/kg, ip after 1 to 5 hr relative to vehicle-treated control ChEMBL. No reference

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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