Detailed information for compound 311494

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 475.106 | Formula: C27H37ClNO2S-
  • H donors: 0 H acceptors: 0 LogP: 7.12 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(Cc1cccc(c1)OCC(OCc1cscc1)(C)C)C/C=C/C#CC(C)(C)C.[Cl-]
  • InChi: 1S/C27H37NO2S.ClH/c1-7-28(16-10-8-9-15-26(2,3)4)19-23-12-11-13-25(18-23)29-22-27(5,6)30-20-24-14-17-31-21-24;/h8,10-14,17-18,21H,7,16,19-20,22H2,1-6H3;1H/p-1/b10-8+;
  • InChiKey: XZCWZZDUAVANHV-VRTOBVRTSA-M  


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
Onchocerca volvulus Cathepsin F homolog 0.0247 0.3273 1
Leishmania major cathepsin L-like protease 0.0247 0.3273 1
Echinococcus granulosus neuropeptide s receptor 0.0496 0.6667 0.6667
Onchocerca volvulus 0.0247 0.3273 1
Plasmodium falciparum serine repeat antigen 6 0.006 0.072 0.1744
Onchocerca volvulus 0.0247 0.3273 1
Schistosoma mansoni ferritin 0.0009 0.002 0.002
Loa Loa (eye worm) cathepsin B 0.0189 0.2479 0.3845
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0247 0.3273 1
Entamoeba histolytica cysteine protease, putative 0.006 0.072 0.1744
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0044 0.0044
Plasmodium falciparum serine repeat antigen 8 0.006 0.072 0.1744
Giardia lamblia Cathepsin L precursor 0.006 0.072 0.2347
Echinococcus granulosus cathepsin l1 0.0247 0.3273 0.3273
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0247 0.3273 1
Giardia lamblia Cathepsin B precursor 0.0189 0.2479 1
Loa Loa (eye worm) hypothetical protein 0.006 0.072 0.1089
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0181 0.0246
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0044 0.0044
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0044 0.0031
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.006 0.072 0.1744
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.1181 0.1813
Schistosoma mansoni importin beta-1 0.0028 0.0284 0.0284
Giardia lamblia Cathepsin L precursor 0.006 0.072 0.2347
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0247 0.3273 1
Echinococcus multilocularis neuropeptide receptor A26 0.0496 0.6667 0.6667
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0247 0.3273 1
Brugia malayi Cathepsin L-like precursor 0.0247 0.3273 0.5091
Loa Loa (eye worm) hypothetical protein 0.0162 0.2111 0.3268
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0044 0.0031
Trypanosoma brucei cysteine peptidase C (CPC) 0.0189 0.2479 0.7431
Loa Loa (eye worm) papain family cysteine protease containing protein 0.006 0.072 0.1089
Plasmodium falciparum cysteine proteinase falcipain 1 0.0146 0.1883 0.5504
Onchocerca volvulus 0.0162 0.2111 0.64
Schistosoma mansoni ferritin 0.0009 0.002 0.002
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0247 0.3273 1
Echinococcus granulosus transcription factor btf3 0.0037 0.0407 0.0407
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0247 0.3273 1
Echinococcus multilocularis ferritin 0.0009 0.002 0.002
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0044 0.0031
Loa Loa (eye worm) hypothetical protein 0.006 0.072 0.1089
Schistosoma mansoni survival motor neuron protein 0.0053 0.0626 0.0626
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0044 0.0044
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0044 0.0028
Giardia lamblia Cathepsin L precursor 0.006 0.072 0.2347
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0146 0.1883 0.5727
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0247 0.3273 1
Entamoeba histolytica cysteine protease, putative 0.0146 0.1883 0.5504
Brugia malayi Cathepsin L-like precursor 0.0247 0.3273 0.5091
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0044 0.0031
Echinococcus multilocularis cathepsin L cysteine protease 0.0247 0.3273 0.3273
Echinococcus multilocularis cpg binding protein 0.0033 0.034 0.034
Entamoeba histolytica cysteine protease, putative 0.0146 0.1883 0.5504
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0232 0.0081
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.006 0.072 0.2154
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0247 0.3273 1
Leishmania major cathepsin L-like protease 0.0247 0.3273 1
Trypanosoma cruzi cysteine protease, putative 0.0146 0.1883 0.2734
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.006 0.072 0.1744
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0247 0.3273 1
Trypanosoma cruzi cysteine peptidase, putative 0.0247 0.3273 0.4967
Trichomonas vaginalis ran, putative 0.0021 0.0181 0.0496
Brugia malayi Cathepsin L-like precursor 0.0247 0.3273 0.5091
Echinococcus granulosus expressed protein 0.0009 0.002 0.002
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0247 0.3273 0.3273
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0146 0.1883 0.1883
Brugia malayi nuclear hormone receptor 0.0011 0.0044 0.0031
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.072 0.2154
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.006 0.072 0.2154
Onchocerca volvulus 0.0031 0.0316 0.0844
Trypanosoma cruzi major cysteine proteinase, putative 0.006 0.072 0.0866
Schistosoma mansoni apoferritin-2 0.0009 0.002 0.002
Trypanosoma cruzi cruzipain precursor, putative 0.0085 0.1058 0.1409
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0407 0.1192
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0247 0.3273 1
Onchocerca volvulus 0.0053 0.0626 0.1803
Brugia malayi Importin beta-1 subunit 0.0028 0.0284 0.0407
Toxoplasma gondii cathepsin CPC2 0.006 0.072 0.1744
Toxoplasma gondii NAC domain-containing protein 0.0037 0.0407 0.0732
Loa Loa (eye worm) hypothetical protein 0.0262 0.3476 0.5408
Trypanosoma cruzi cysteine peptidase, putative 0.0085 0.1058 0.1409
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.021 0.0586
Onchocerca volvulus 0.0247 0.3273 1
Plasmodium falciparum serine repeat antigen 3 0.006 0.072 0.1744
Echinococcus multilocularis dnaJ subfamily B 0.0439 0.5885 0.5885
Echinococcus granulosus cpg binding protein 0.0033 0.034 0.034
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0044 0.0044
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.006 0.072 0.2154
Echinococcus multilocularis survival motor neuron protein 1 0.0262 0.3476 0.3476
Loa Loa (eye worm) hypothetical protein 0.0025 0.0232 0.0323
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0026 0.0026
Schistosoma mansoni cpg binding protein 0.0033 0.034 0.034
Entamoeba histolytica cysteine proteinase, putative 0.0146 0.1883 0.5504
Entamoeba histolytica cysteine protease, putative 0.0247 0.3273 1
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0407 0.1192
Echinococcus multilocularis cathepsin L 0.0146 0.1883 0.1883
Echinococcus multilocularis geminin 0.0182 0.2377 0.2377
Schistosoma mansoni hypothetical protein 0.0303 0.4038 0.4038
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0477 0.6406 0.6406
Loa Loa (eye worm) hypothetical protein 0.0011 0.0044 0.0028
Schistosoma mansoni ran 0.0021 0.0181 0.0181
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0247 0.3273 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0247 0.3273 1
Echinococcus granulosus importin subunit beta 1 0.0028 0.0284 0.0284
Toxoplasma gondii cathepsin CPL 0.0247 0.3273 1
Echinococcus granulosus cathepsin l1 0.0162 0.2111 0.2111
Schistosoma mansoni hypothetical protein 0.0053 0.0626 0.0626
Loa Loa (eye worm) hypothetical protein 0.006 0.072 0.1089
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0044 0.0028
Schistosoma mansoni cathepsin F (C01 family) 0.0247 0.3273 0.3273
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.006 0.072 0.072
Onchocerca volvulus 0.0247 0.3273 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0044 0.0031
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0284 0.0284
Echinococcus multilocularis cathepsin b 0.0477 0.6406 0.6406
Leishmania major T-complex protein 1, beta subunit, putative 0.0024 0.0218 0.012
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.006 0.072 0.1744
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.006 0.072 0.072
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0247 0.3273 1
Entamoeba histolytica cysteine proteinase, putative 0.0162 0.2111 0.624
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.006 0.072 0.1744
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0026 0.0026
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0046 0.0046
Brugia malayi beta-NAC-like protein 0.0037 0.0407 0.0601
Brugia malayi Papain family cysteine protease containing protein 0.0146 0.1883 0.2913
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0247 0.3273 1
Loa Loa (eye worm) hypothetical protein 0.0162 0.2111 0.3268
Plasmodium vivax T-complex protein 1 subunit beta, putative 0.0024 0.0218 0.012
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0044 0.0044
Plasmodium vivax vivapain-2 0.0247 0.3273 1
Entamoeba histolytica cysteine protease, putative 0.006 0.072 0.1744
Brugia malayi cathepsin L-like cysteine proteinase 0.006 0.072 0.1091
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0044 0.0044
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0232 0.0163
Brugia malayi cathepsin L precursor 0.006 0.072 0.1091
Trypanosoma cruzi cysteine peptidase, putative 0.0146 0.1883 0.2734
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0085 0.1058 0.1618
Entamoeba histolytica cysteine proteinase, putative 0.0146 0.1883 0.5504
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0044 0.0028
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.1181 0.1181
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.1181 0.1181
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0044 0.0031
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0316 0.0455
Brugia malayi steroid hormone receptor 0.0011 0.0044 0.0031
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.072 0.2154
Mycobacterium ulcerans bacterioferritin BfrB 0.0009 0.002 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.1181 0.1181
Giardia lamblia Cysteine protease 0.006 0.072 0.2347
Giardia lamblia Cathepsin B precursor 0.006 0.072 0.2347
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0044 0.0031
Echinococcus granulosus snurportin 1 0.0303 0.4038 0.4038
Plasmodium falciparum serine repeat antigen 1 0.006 0.072 0.1744
Brugia malayi Papain family cysteine protease containing protein 0.006 0.072 0.1091
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0009 0.002 0.5
Plasmodium vivax importin-beta 2, putative 0.0028 0.0284 0.0331
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0009 0.002 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0044 0.0028
Schistosoma mansoni apoferritin-2 0.0009 0.002 0.002
Trypanosoma cruzi transcription factor btf3, putative 0.0037 0.0407 0.0364
Echinococcus granulosus cathepsin L 0.0146 0.1883 0.1883
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.006 0.072 0.2154
Brugia malayi cathepsin Z-like cysteine proteinase 0.006 0.072 0.1091
Echinococcus multilocularis transcription factor btf3 0.0037 0.0407 0.0407
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0009 0.002 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0247 0.3273 0.4967
Schistosoma mansoni cathepsin S (C01 family) 0.006 0.072 0.072
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0044 0.0044
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0044 0.0044
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0284 0.0331
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0044 0.0044
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0189 0.2479 0.3691
Entamoeba histolytica cysteine protease, putative 0.006 0.072 0.1744
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0024 0.0218 0.0218
Mycobacterium ulcerans bacterioferritin BfrA 0.0009 0.002 0.5
Plasmodium vivax vivapain-3 0.0146 0.1883 0.5504
Brugia malayi ecdysteroid receptor 0.0011 0.0044 0.0031
Brugia malayi Cathepsin L-like precursor 0.0247 0.3273 0.5091
Entamoeba histolytica cysteine protease, putative 0.006 0.072 0.1744
Plasmodium vivax serine-repeat antigen (SERA), putative 0.006 0.072 0.1744
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0024 0.0218 0.0218
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.006 0.072 0.2154
Giardia lamblia Cysteine protease 0.006 0.072 0.2347
Schistosoma mansoni cathepsin C 0.006 0.072 0.072
Brugia malayi hypothetical protein 0.0016 0.0113 0.0139
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0044 0.0044
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0477 0.6406 0.6406
Giardia lamblia Dipeptidyl-peptidase I precursor 0.006 0.072 0.2347
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0477 0.6406 1
Trypanosoma cruzi cysteine proteinase, putative 0.0146 0.1883 0.2734
Loa Loa (eye worm) cysteine protease 0.0247 0.3273 0.509
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.006 0.072 0.2154
Brugia malayi Papain family cysteine protease containing protein 0.006 0.072 0.1091
Entamoeba histolytica cysteine protease, putative 0.0146 0.1883 0.5504
Schistosoma mansoni microtubule-associated protein tau 0.074 1 1
Echinococcus granulosus cysteine protease 0.0146 0.1883 0.1883
Treponema pallidum bacterioferrin (TpF1) 0.0009 0.002 0.5
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0189 0.2479 0.7431
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0044 0.0044
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.006 0.072 0.2154
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0044 0.0031
Entamoeba histolytica cysteine protease, putative 0.0146 0.1883 0.5504
Onchocerca volvulus Cathepsin L homolog 0.006 0.072 0.2096
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0044 0.0031
Schistosoma mansoni hypothetical protein 0.0182 0.2377 0.2377
Schistosoma mansoni hypothetical protein 0.0182 0.2377 0.2377
Leishmania major hypothetical protein, conserved 0.0025 0.0232 0.0163
Plasmodium vivax unspecified product 0.0146 0.1883 0.5504
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0162 0.2111 0.6427
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0247 0.3273 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.021 0.0047
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0024 0.0218 0.0218
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0181 0.0244
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0044 0.0028
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.1181 0.1811
Brugia malayi T-complex protein 1, beta subunit 0.0024 0.0218 0.0304
Entamoeba histolytica cysteine protease, putative 0.0146 0.1883 0.5504
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0477 0.6406 0.6406
Brugia malayi Papain family cysteine protease containing protein 0.006 0.072 0.1091
Leishmania major basic transcription factor 3a, putative 0.0037 0.0407 0.0732
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0247 0.3273 1
Echinococcus granulosus dnaJ subfamily B 0.0439 0.5885 0.5885
Loa Loa (eye worm) fibroinase 0.0247 0.3273 0.509
Plasmodium vivax serine-repeat antigen (SERA) 0.006 0.072 0.1744
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0044 0.0031
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0009 0.002 0.5
Loa Loa (eye worm) ctsf protein 0.0247 0.3273 0.509
Echinococcus multilocularis cysteine protease 0.0247 0.3273 0.3273
Echinococcus granulosus cathepsin l cysteine peptidase 0.0247 0.3273 0.3273
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0146 0.1883 0.1883
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.1181 0.1181
Entamoeba histolytica cysteine proteinase 2 0.0146 0.1883 0.5504
Loa Loa (eye worm) hypothetical protein 0.0162 0.2111 0.3268
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0044 0.0044
Trypanosoma cruzi T-complex protein 1, beta subunit, putative 0.0024 0.0218 0.006
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0044 0.0044
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0044 0.0044
Brugia malayi Cathepsin L-like precursor 0.0162 0.2111 0.3269
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.1181 0.1181
Brugia malayi CXXC zinc finger family protein 0.0031 0.0316 0.0458
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0247 0.3273 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0247 0.3273 1
Plasmodium falciparum serine repeat antigen 7 0.006 0.072 0.1744
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0044 0.0044
Brugia malayi nuclear receptor NHR-88 0.0011 0.0044 0.0031
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.006 0.072 0.072
Giardia lamblia Cathepsin L-like protease 0.006 0.072 0.2347
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0247 0.3273 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0044 0.0044
Schistosoma mansoni cpg binding protein 0.0031 0.0316 0.0316
Schistosoma mansoni cathepsin F (C01 family) 0.0162 0.2111 0.2111
Giardia lamblia Cysteine protease 0.006 0.072 0.2347
Plasmodium falciparum serine repeat antigen 5 0.006 0.072 0.1744
Entamoeba histolytica cysteine protease, putative 0.006 0.072 0.1744
Leishmania major cysteine peptidase A (CPA) 0.0247 0.3273 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0247 0.3273 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0044 0.0044
Loa Loa (eye worm) papain family cysteine protease containing protein 0.006 0.072 0.1089
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0044 0.0044
Giardia lamblia Cathepsin B precursor 0.0189 0.2479 1
Entamoeba histolytica cysteine protease, putative 0.0146 0.1883 0.5504
Plasmodium vivax vivapain-2 0.0247 0.3273 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.1058 0.1618
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.006 0.072 0.072
Entamoeba histolytica transcription factor BTF3, putative 0.0037 0.0407 0.0732
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0247 0.3273 0.509
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0044 0.0031
Loa Loa (eye worm) hypothetical protein 0.0477 0.6406 1
Giardia lamblia Hypothetical protein 0.006 0.072 0.2347
Echinococcus granulosus geminin 0.0182 0.2377 0.2377
Loa Loa (eye worm) hypothetical protein 0.0011 0.0044 0.0028
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0146 0.1883 0.2734
Toxoplasma gondii preprocathepsin c precursor, putative 0.006 0.072 0.1744
Entamoeba histolytica cysteine proteinase 1, putative 0.0146 0.1883 0.5504
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0247 0.3273 0.509
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0044 0.0031
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0189 0.2479 0.2479
Entamoeba histolytica cysteine protease, putative 0.0146 0.1883 0.5504
Onchocerca volvulus Cathepsin L homolog 0.0247 0.3273 1
Plasmodium vivax unspecified product 0.0085 0.1058 0.2836
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0247 0.3273 1
Schistosoma mansoni hypothetical protein 0.0011 0.0046 0.0046
Leishmania major cathepsin L-like protease 0.0247 0.3273 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0181 0.0181
Giardia lamblia Cathepsin L precursor 0.006 0.072 0.2347
Schistosoma mansoni ferritin 0.0009 0.002 0.002
Toxoplasma gondii cathepsin CPC1 0.006 0.072 0.1744
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.006 0.072 0.2154
Brugia malayi Cathepsin L-like precursor 0.0162 0.2111 0.3269
Brugia malayi hypothetical protein 0.0262 0.3476 0.5409
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0247 0.3273 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.006 0.072 0.2154
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0044 0.0044
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0085 0.1058 0.162
Giardia lamblia Cathepsin B precursor 0.0189 0.2479 1
Giardia lamblia Cathepsin B-like cysteine proteinase 3 precursor 0.006 0.072 0.2347
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.006 0.072 0.072
Loa Loa (eye worm) hypothetical protein 0.0011 0.0044 0.0028
Plasmodium falciparum basic transcription factor 3b, putative 0.0037 0.0407 0.0732
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.1181 0.1181
Entamoeba histolytica cysteine protease, putative 0.0146 0.1883 0.5504
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0247 0.3273 1
Leishmania major cathepsin L-like protease 0.0247 0.3273 1
Trichomonas vaginalis conserved hypothetical protein 0.006 0.072 0.2154
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.0692 0.1653
Brugia malayi Cathepsin L-like precursor 0.0247 0.3273 0.5091
Brugia malayi RNA, U transporter 1 0.0081 0.0999 0.1528
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0247 0.3273 1
Loa Loa (eye worm) T-complex protein 1 0.0024 0.0218 0.0302
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0247 0.3273 1
Brugia malayi cathepsin L-like precursor 0.0162 0.2111 0.3269
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.072 0.2154
Plasmodium vivax unspecified product 0.006 0.072 0.1744
Plasmodium vivax serine-repeat antigen (SERA), putative 0.006 0.072 0.1744
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0044 0.0044
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0024 0.0218 0.0218
Entamoeba histolytica cysteine protease, putative 0.0146 0.1883 0.5504
Trichomonas vaginalis chaperonin, putative 0.0024 0.0218 0.0611
Echinococcus granulosus ferritin 0.0009 0.002 0.002
Leishmania major importin beta-1 subunit, putative 0.0023 0.021 0.0094
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0044 0.0028
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0232 0.0163
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0044 0.0044
Plasmodium vivax vivapain-1 0.0146 0.1883 0.5504
Brugia malayi Cathepsin L-like cysteine proteinase 0.0162 0.2111 0.3269
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0247 0.3273 1
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.006 0.072 0.1744
Brugia malayi cathepsin Z-like cysteine proteinase 0.006 0.072 0.1091
Entamoeba histolytica papain family cysteine protease domain containing protein 0.006 0.072 0.1744
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0247 0.3273 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0044 0.0044
Echinococcus multilocularis microtubule associated protein 2 0.074 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0044 0.0044
Trypanosoma brucei T-complex protein 1, beta subunit, putative 0.0024 0.0218 0.012
Brugia malayi Papain family cysteine protease containing protein 0.0247 0.3273 0.5091
Schistosoma mansoni ferritin light chain 0.0009 0.002 0.002
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0247 0.3273 1
Trypanosoma cruzi cysteine peptidase, putative 0.0247 0.3273 0.4967
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0044 0.0031
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0044 0.0031
Brugia malayi hypothetical protein 0.0025 0.0232 0.0325
Giardia lamblia Cathepsin B precursor 0.006 0.072 0.2347
Plasmodium falciparum importin beta, putative 0.0028 0.0284 0.0331
Loa Loa (eye worm) hypothetical protein 0.006 0.072 0.1089
Onchocerca volvulus 0.006 0.072 0.2096
Loa Loa (eye worm) hypothetical protein 0.0085 0.1058 0.1618
Loa Loa (eye worm) hypothetical protein 0.0011 0.0044 0.0028
Toxoplasma gondii cathepsin B 0.0189 0.2479 0.7431
Loa Loa (eye worm) hypothetical protein 0.006 0.072 0.1089
Echinococcus granulosus cathepsin b 0.0477 0.6406 0.6406
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0044 0.0028
Trichomonas vaginalis conserved hypothetical protein 0.006 0.072 0.2154
Loa Loa (eye worm) hypothetical protein 0.0011 0.0044 0.0028
Schistosoma mansoni ran 0.0021 0.0181 0.0181
Echinococcus multilocularis expressed protein 0.0009 0.002 0.002
Loa Loa (eye worm) ICD-1 protein 0.0037 0.0407 0.0598
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0407 0.1192
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0232 0.0163
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0044 0.0044
Entamoeba histolytica cysteine proteinase, putative 0.0247 0.3273 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0085 0.1058 0.1618
Plasmodium falciparum serine repeat antigen 2 0.006 0.072 0.1744
Schistosoma mansoni hypothetical protein 0.0439 0.5885 0.5885
Schistosoma mansoni cathepsin s 0.0085 0.1058 0.1058
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.1181 0.1181
Giardia lamblia Cathepsin B precursor 0.006 0.072 0.2347
Brugia malayi fibroinase precursor 0.006 0.072 0.1091
Giardia lamblia Hypothetical protein 0.006 0.072 0.2347
Loa Loa (eye worm) hypothetical protein 0.0011 0.0044 0.0028
Entamoeba histolytica cysteine protease, putative 0.0146 0.1883 0.5504
Entamoeba histolytica cysteine proteinase, putative 0.0146 0.1883 0.5504
Loa Loa (eye worm) hypothetical protein 0.0011 0.0044 0.0028
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0146 0.1883 0.5504
Echinococcus multilocularis neuropeptide s receptor 0.0496 0.6667 0.6667
Giardia lamblia Cathepsin B precursor 0.006 0.072 0.2347
Loa Loa (eye worm) hypothetical protein 0.0011 0.0044 0.0028
Entamoeba histolytica hypothetical protein 0.0037 0.0407 0.0732
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0044 0.0031
Entamoeba histolytica T-complex protein 1 beta subunit, putative 0.0024 0.0218 0.012
Plasmodium vivax basic transcription factor 3b, putative 0.0037 0.0407 0.0732
Echinococcus granulosus cathepsin L cysteine protease 0.0146 0.1883 0.1883
Plasmodium falciparum cysteine proteinase falcipain 3 0.0247 0.3273 1
Giardia lamblia Cathepsin L precursor 0.006 0.072 0.2347
Leishmania major cathepsin L-like protease 0.0247 0.3273 1
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0044 0.0044
Brugia malayi Cathepsin L-like precursor 0.0247 0.3273 0.5091
Echinococcus granulosus cathepsin L 0.006 0.072 0.072
Echinococcus multilocularis cathepsin L 0.006 0.072 0.072
Onchocerca volvulus 0.0247 0.3273 1
Plasmodium falciparum T-complex protein 1 subunit beta 0.0024 0.0218 0.012
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0247 0.3273 1
Schistosoma mansoni cpg binding protein 0.0033 0.034 0.034
Trypanosoma cruzi cysteine proteinase, putative 0.0146 0.1883 0.2734
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0181 0.0181
Giardia lamblia TCP-1 chaperonin subunit beta 0.0024 0.0218 0.0162
Brugia malayi Cathepsin L-like precursor 0.0085 0.1058 0.162
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.006 0.072 0.1744
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0232 0.0081
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0053 0.0626 0.0943
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0162 0.2111 0.3099
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0247 0.3273 1
Giardia lamblia Dipeptidyl-peptidase I precursor 0.006 0.072 0.2347
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0146 0.1883 0.5727
Brugia malayi cathepsin F-like cysteine proteinase 0.006 0.072 0.1091
Entamoeba histolytica cysteine proteinase, putative 0.0146 0.1883 0.5504
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0247 0.3273 1
Plasmodium falciparum serine repeat antigen 9 0.006 0.072 0.1744
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.072 0.2154
Loa Loa (eye worm) hypothetical protein 0.0247 0.3273 0.509
Entamoeba histolytica cysteine protease, putative 0.006 0.072 0.1744
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0146 0.1883 0.1883
Trypanosoma cruzi transcription factor btf3, putative 0.0037 0.0407 0.0364
Echinococcus multilocularis cysteine protease 0.0247 0.3273 0.3273
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0303 0.4038 0.6289
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0284 0.0331
Entamoeba histolytica cysteine protease, putative 0.0146 0.1883 0.5504
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.072 0.2154
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.006 0.072 0.2154
Echinococcus granulosus survival motor neuron protein 1 0.0262 0.3476 0.3476
Leishmania major cathepsin L-like protease 0.0247 0.3273 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0085 0.1058 0.162
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0247 0.3273 1
Loa Loa (eye worm) hypothetical protein 0.006 0.072 0.1089
Trichomonas vaginalis importin beta-1, putative 0.0023 0.021 0.0586
Trypanosoma cruzi cysteine peptidase, putative 0.0247 0.3273 0.4967
Brugia malayi cathepsin B-like cysteine proteinase 0.0477 0.6406 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.0788 0.0788
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0247 0.3273 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0044 0.0028
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.006 0.072 0.072
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.021 0.0586
Entamoeba histolytica cysteine protease, putative 0.0146 0.1883 0.5504
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0247 0.3273 1
Onchocerca volvulus 0.0247 0.3273 1
Schistosoma mansoni transcription factor btf3 0.0037 0.0407 0.0407
Echinococcus granulosus cathepsin b 0.0477 0.6406 0.6406
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0232 0.0163
Trypanosoma cruzi major cysteine proteinase, putative 0.006 0.072 0.0866
Leishmania major cathepsin L-like protease 0.0247 0.3273 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0146 0.1883 0.5504
Giardia lamblia Encystation-specific protease 0.006 0.072 0.2347
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0162 0.2111 0.6427
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0189 0.2479 0.7559
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0046 0.0046
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0044 0.0044
Plasmodium vivax serine-repeat antigen (SERA) 0.006 0.072 0.1744
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.006 0.072 0.072
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0247 0.3273 1
Onchocerca volvulus 0.0247 0.3273 1
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.006 0.072 0.1089
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.006 0.072 0.072
Giardia lamblia Cathepsin B precursor 0.006 0.072 0.2347
Giardia lamblia Cathepsin L precursor 0.006 0.072 0.2347
Echinococcus granulosus neuropeptide receptor A26 0.0496 0.6667 0.6667
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.006 0.072 0.1744
Echinococcus multilocularis snurportin 1 0.0303 0.4038 0.4038
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.006 0.072 0.1744
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0044 0.0044
Giardia lamblia Cysteine protease 0.006 0.072 0.2347
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0247 0.3273 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0044 0.0031
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0232 0.0163
Entamoeba histolytica hypothetical protein 0.0023 0.021 0.0094
Giardia lamblia Cathepsin L-like protease 0.006 0.072 0.2347
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.006 0.072 0.1744
Trichomonas vaginalis chaperonin-60kD, ch60, putative 0.0024 0.0218 0.0611
Toxoplasma gondii t-complex protein beta subunit 0.0024 0.0218 0.012
Echinococcus multilocularis cathepsin L cysteine protease 0.0247 0.3273 0.3273
Brugia malayi T-complex protein 1, beta subunit 0.0024 0.0218 0.0304
Giardia lamblia Dipeptidyl-peptidase I precursor 0.006 0.072 0.2347
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0477 0.6406 0.6406
Loa Loa (eye worm) hypothetical protein 0.0028 0.0284 0.0404
Entamoeba histolytica papain family cysteine protease domain containing protein 0.006 0.072 0.1744
Schistosoma mansoni ferritin light chain 0.0009 0.002 0.002
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0024 0.0218 0.0218
Schistosoma mansoni cathepsin F (C01 family) 0.0247 0.3273 0.3273
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0284 0.0331
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.006 0.072 0.072
Plasmodium falciparum serine repeat antigen 4 0.006 0.072 0.1744
Entamoeba histolytica hypothetical protein 0.006 0.072 0.1744
Entamoeba histolytica cysteine proteinase, putative 0.0247 0.3273 1
Schistosoma mansoni ferritin 0.0009 0.002 0.002
Schistosoma mansoni coup transcription factor 0.0011 0.0044 0.0044
Echinococcus multilocularis cathepsin b 0.0477 0.6406 0.6406
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.006 0.072 0.2154
Trypanosoma brucei transcription factor BTF3, putative 0.0037 0.0407 0.0732
Entamoeba histolytica cysteine protease, putative 0.0146 0.1883 0.5504
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0247 0.3273 0.3273
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.006 0.072 0.1744
Leishmania major cathepsin L-like protease 0.0247 0.3273 1
Onchocerca volvulus Cathepsin L homolog 0.0247 0.3273 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0044 0.0044
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0247 0.3273 1
Schistosoma mansoni cathepsin B (C01 family) 0.006 0.072 0.072
Trypanosoma cruzi cruzipain precursor, putative 0.0247 0.3273 0.4967
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0044 0.0044
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.006 0.072 0.1744
Echinococcus granulosus cathepsin L cysteine proteinase 0.0247 0.3273 0.3273
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.006 0.072 0.2154
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0247 0.3273 1
Brugia malayi Papain family cysteine protease containing protein 0.0146 0.1883 0.2913
Brugia malayi cahepsin L-like non-peptiedase homolog 0.006 0.072 0.1091

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) = -47 % Compound was evaluated for artherogenic index in plasma lipoprotein cholesterol level (LDL cholesterol / HDL cholesterol) at a dose of 32 mg/kg/day ChEMBL. 14741258
Activity (ADMET) = -38 % Compound was evaluated for artherogenic index in plasma lipoprotein cholesterol level (LDL cholesterol / HDL cholesterol) at a dose of 10 mg/kg/day ChEMBL. 14741258
Activity (ADMET) = -2 % Compound was evaluated for artherogenic index in plasma lipoprotein cholesterol level (LDL cholesterol / HDL cholesterol) at a dose of 3.2 mg/kg/day ChEMBL. 14741258
AUC (ADMET) = 1.873 ug hr ml-1 Compound was evaluated for area under the curve (0-8 h) ChEMBL. 14741258
Cmax (ADMET) = 0.486 ug ml-1 Compound was evaluated for maximum concentration (Cmax) in suspension of 0.5% methylcellulose at a dose of 10 mg/kg in rat ChEMBL. 14741258
Concentration (ADMET) < 0.05 Compound was evaluated for plasma concentration in dog 24 hr after at a dose of 5 mg/kg ChEMBL. 14741258
Concentration (ADMET) < 0.05 Compound was evaluated for plasma concentration in dog 24 hr after at a dose of 16 mg/kg ChEMBL. 14741258
Concentration (ADMET) = 0.138 Compound was evaluated for plasma concentration in dog 4 hr after at a dose of 5 mg/kg ChEMBL. 14741258
Concentration (ADMET) = 0.199 Compound was evaluated for plasma concentration in dog 1 hr after at a dose of 5 mg/kg ChEMBL. 14741258
Concentration (ADMET) = 0.717 Compound was evaluated for plasma concentration in dog 4 hr after at a dose of 16 mg/kg ChEMBL. 14741258
Concentration (ADMET) = 0.91 Compound was evaluated for plasma concentration in dog 1 hr after at a dose of 16 mg/kg ChEMBL. 14741258
F (ADMET) = 32.9 % Bioavailability in rat ChEMBL. 14741258
HDL (ADMET) = -27 % Compound was evaluated for change in the effect of plasma lipoprotein cholesterol level (HDL) at a dose of 32 mg/kg/day ChEMBL. 14741258
HDL (ADMET) = -14 % Compound was evaluated for change in the effect of plasma lipoprotein cholesterol level (HDL) at a dose of 10 mg/kg/day ChEMBL. 14741258
HDL (ADMET) = 0 % Compound was evaluated for change in the effect of plasma lipoprotein cholesterol level (HDL) at a dose of 3.2 mg/kg/day ChEMBL. 14741258
IC50 (functional) = 9.8 nM In vitro inhibitory activity of the compound was evaluated against human squalence epoxidase ChEMBL. 14741258
IC50 (functional) = 14 nM In vitro inhibitory activity of the compound was evaluated against dog squalence epoxidase ChEMBL. 14741258
IC50 (functional) = 25 nM In vitro inhibitory activity of the compound was evaluated against rat squalence epoxidase ChEMBL. 14741258
LDL (ADMET) = -61 % Compound was evaluated for change in the effect of plasma lipoprotein cholesterol level (LDL) at a dose of 32 mg/kg/day ChEMBL. 14741258
LDL (ADMET) = -47 % Compound was evaluated for change in the effect of plasma lipoprotein cholesterol level (LDL) at a dose of 10 mg/kg/day ChEMBL. 14741258
LDL (ADMET) = -2 % Compound was evaluated for change in the effect of plasma lipoprotein cholesterol level (LDL) at a dose of 3.2 mg/kg/day ChEMBL. 14741258
logP (ADMET) = 7.3 Partition coefficient (logP) ChEMBL. 14741258
T max (ADMET) = 1.17 hr Compound was evaluated for maximum time(Tmax) in suspension of 0.5% methylcellulose at a dose of 10 mg/kg in rat ChEMBL. 14741258

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

1 literature reference was collected for this gene.

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