Detailed information for compound 1105337

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 330.835 | Formula: C16H15ClN4S
  • H donors: 2 H acceptors: 1 LogP: 3.12 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ccc2c(c1)sc(n2)c1ccc(cc1)C1=NCCN1.Cl
  • InChi: 1S/C16H14N4S.ClH/c17-12-5-6-13-14(9-12)21-16(20-13)11-3-1-10(2-4-11)15-18-7-8-19-15;/h1-6,9H,7-8,17H2,(H,18,19);1H
  • InChiKey: TWBZHUOBWUHLMX-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
Brugia malayi glutathione reductase 0.0096 0.0275 0.055
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0033 0.0027 0.0027
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0075 0.0192 1
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0045 0.0019
Toxoplasma gondii thioredoxin reductase 0.0096 0.0275 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0027 0.0966
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0116 0.0356 0.0529
Brugia malayi RNA binding protein 0.0065 0.0154 0.0308
Echinococcus multilocularis tar DNA binding protein 0.0065 0.0154 0.0217
Brugia malayi Bromodomain containing protein 0.003 0.0014 0.0028
Schistosoma mansoni jumonji domain containing protein 0.0078 0.0206 0.0383
Mycobacterium ulcerans hypothetical protein 0.0038 0.0045 0.0019
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0045 0.009
Entamoeba histolytica hypothetical protein 0.0111 0.0335 0.1402
Loa Loa (eye worm) hypothetical protein 0.0154 0.0507 0.1012
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0116 0.0356 0.0711
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0154 0.0281
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0075 0.0192 0.0384
Schistosoma mansoni hypothetical protein 0.0252 0.0892 0.1757
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0014 0.0516
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0033 0.0027 0.0966
Entamoeba histolytica fatty acid elongase, putative 0.0331 0.1207 1
Leishmania major trypanothione reductase 0.0096 0.0275 1
Plasmodium vivax thioredoxin reductase, putative 0.0096 0.0275 0.0275
Schistosoma mansoni transcription factor LCR-F1 0.0111 0.0335 0.0641
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0093 0.0186
Loa Loa (eye worm) hypothetical protein 0.0038 0.0045 0.009
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0219 0.0763 0.8811
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0219 0.0763 0.0739
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0045 0.1116
Brugia malayi MH2 domain containing protein 0.0245 0.0865 0.1727
Loa Loa (eye worm) hypothetical protein 0.0116 0.0356 0.0711
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0027 0.0966
Brugia malayi hypothetical protein 0.0111 0.0335 0.0668
Echinococcus multilocularis GPCR, family 2 0.0116 0.0356 0.0529
Echinococcus multilocularis thioredoxin glutathione reductase 0.0096 0.0275 0.0404
Loa Loa (eye worm) hypothetical protein 0.0154 0.0507 0.1012
Loa Loa (eye worm) MH2 domain-containing protein 0.0245 0.0865 0.1727
Giardia lamblia NADH oxidase lateral transfer candidate 0.0033 0.0027 0.0696
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0014 0.0028
Plasmodium falciparum thioredoxin reductase 0.0096 0.0275 0.0275
Brugia malayi jmjC domain containing protein 0.0099 0.0286 0.0571
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0033 0.0027 0.0966
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.2548 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0245 0.0865 0.1727
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0027 0.0966
Schistosoma mansoni tyrosine kinase 0.129 0.5012 1
Echinococcus multilocularis 0.0399 0.1479 0.2262
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0093 0.0158
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0075 0.0192 0.0357
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0093 0.0122
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1663 0.6488 1
Brugia malayi Thioredoxin reductase 0.0096 0.0275 0.055
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0242 0.0856 0.0831
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0045 0.0019
Onchocerca volvulus 0.0038 0.0045 0.1356
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0045 0.0045
Echinococcus granulosus tar DNA binding protein 0.0065 0.0154 0.0281
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0045 0.0019
Brugia malayi Protein kinase domain containing protein 0.0412 0.153 0.3052
Plasmodium falciparum glutathione reductase 0.0033 0.0027 0.0027
Schistosoma mansoni tyrosine kinase 0.0412 0.153 0.3033
Treponema pallidum NADH oxidase 0.0033 0.0027 0.5
Brugia malayi follicle stimulating hormone receptor 0.0231 0.081 0.1616
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.0027 0.0966
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0093 0.0158
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0039 0.005
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0243 0.086 0.0836
Loa Loa (eye worm) hypothetical protein 0.0075 0.0192 0.0384
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0039 0.0079
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0014 0.0516
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0096 0.0275 0.0249
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0075 0.0192 1
Entamoeba histolytica hypothetical protein 0.0111 0.0335 0.1402
Echinococcus multilocularis insulin receptor 0.0412 0.153 0.2341
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0093 0.0122
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.0154 0.0308
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0045 0.1116
Loa Loa (eye worm) TK/EGFR protein kinase 0.129 0.5012 1
Brugia malayi jmjC domain containing protein 0.0036 0.0039 0.0079
Echinococcus granulosus GPCR family 2 0.0116 0.0356 0.0685
Echinococcus multilocularis muscleblind protein 1 0.0154 0.0507 0.0761
Entamoeba histolytica fatty acid elongase, putative 0.0331 0.1207 1
Echinococcus multilocularis epidermal growth factor receptor 0.129 0.5012 0.772
Schistosoma mansoni hypothetical protein 0.0116 0.0356 0.0685
Mycobacterium tuberculosis Conserved protein 0.0038 0.0045 0.0019
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0219 0.0763 0.0739
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.2548 1 1
Schistosoma mansoni tyrosine kinase 0.0686 0.2615 0.5204
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0039 0.0039
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0219 0.0763 0.0739
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0033 0.0027 0.0966
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.2548 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0045 0.009
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0093 0.0158
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0243 0.086 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0099 0.0286 0.0544
Toxoplasma gondii ABC1 family protein 0.0038 0.0045 0.1638
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0154 0.0281
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0045 0.0019
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0027 0.0966
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0045 0.1638
Loa Loa (eye worm) latrophilin receptor protein 2 0.0116 0.0356 0.0711
Loa Loa (eye worm) hypothetical protein 0.0052 0.01 0.0199
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0243 0.086 0.0836
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0154 0.0281
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0045 0.0062
Plasmodium falciparum glutathione reductase 0.0096 0.0275 0.0275
Echinococcus granulosus epidermal growth factor receptor 0.0693 0.2644 0.5262
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0039 0.005
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0045 0.0048
Echinococcus multilocularis epidermal growth factor receptor 0.0693 0.2644 0.4063
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0033 0.0027 0.0027
Brugia malayi Latrophilin receptor protein 2 0.0116 0.0356 0.0711
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0099 0.0286 0.042
Brugia malayi beta-lactamase family protein 0.0038 0.0045 0.009
Entamoeba histolytica fatty acid elongase, putative 0.0331 0.1207 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0368 0.1354 0.2702
Loa Loa (eye worm) cytochrome P450 family protein 0.0049 0.0087 0.0174
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0075 0.0192 0.0275
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0088 0.0242 0.0483
Trypanosoma cruzi trypanothione reductase, putative 0.0033 0.0027 0.0966
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0075 0.0192 0.0357
Schistosoma mansoni tyrosine kinase 0.0686 0.2615 0.5204
Mycobacterium tuberculosis Conserved protein 0.0038 0.0045 0.0019
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0033 0.0027 0.0019
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0033 0.0027 0.0966
Loa Loa (eye worm) RNA binding protein 0.0065 0.0154 0.0308
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0075 0.0192 0.6987
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0045 0.0062
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0033 0.0027 0.0027
Echinococcus granulosus L aminoadipate semialdehyde 0.0088 0.0242 0.0456
Mycobacterium tuberculosis Probable oxidoreductase 0.0243 0.086 0.0836
Plasmodium vivax hypothetical protein, conserved 0.003 0.0014 0.0014
Onchocerca volvulus 0.0088 0.0242 1
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.0154 0.0308
Echinococcus granulosus ubiquitin specific protease 41 0.0075 0.0192 0.0357
Loa Loa (eye worm) hypothetical protein 0.003 0.0014 0.0028
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0075 0.0192 1
Brugia malayi beta-lactamase 0.0038 0.0045 0.009
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.2548 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0027 0.0966
Plasmodium falciparum phd finger protein, putative 0.003 0.0014 0.0014
Entamoeba histolytica fatty acid elongase, putative 0.0331 0.1207 1
Schistosoma mansoni tyrosine kinase 0.0686 0.2615 0.5204
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0033 0.0027 0.0027
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0111 0.0335 0.0641
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0116 0.0356 0.0685
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.0027 0.0966
Schistosoma mansoni tyrosine kinase 0.0412 0.153 0.3033
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0045 0.1638
Plasmodium falciparum thioredoxin reductase 0.0033 0.0027 0.0027
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0045 0.1116
Loa Loa (eye worm) thioredoxin reductase 0.0096 0.0275 0.055
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0075 0.0192 0.6987
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0045 0.0019
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0368 0.1354 0.2702
Toxoplasma gondii NADPH-glutathione reductase 0.0033 0.0027 0.0966
Loa Loa (eye worm) hypothetical protein 0.0088 0.0242 0.0483
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0093 0.0158
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0075 0.0192 0.6987
Mycobacterium tuberculosis Conserved protein 0.0038 0.0045 0.0019
Loa Loa (eye worm) beta-lactamase 0.0038 0.0045 0.009
Loa Loa (eye worm) TAR-binding protein 0.0065 0.0154 0.0308
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0154 0.0281
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0027 0.0966
Brugia malayi TAR-binding protein 0.0065 0.0154 0.0308
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0116 0.0356 0.0685
Echinococcus multilocularis muscleblind protein 0.0154 0.0507 0.0761
Echinococcus granulosus muscleblind protein 0.0154 0.0507 0.0986
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0039 0.005
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0033 0.0027 0.0053
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0045 0.0019
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0027 0.0966
Echinococcus multilocularis L aminoadipate semialdehyde 0.0088 0.0242 0.0352
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0075 0.0192 0.0357
Echinococcus granulosus epidermal growth factor receptor 0.129 0.5012 1
Loa Loa (eye worm) hypothetical protein 0.0368 0.1354 0.2702
Loa Loa (eye worm) hypothetical protein 0.0252 0.0892 0.178
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.0061 0.0072
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0045 0.1116
Schistosoma mansoni tyrosine kinase 0.0693 0.2644 0.5262
Entamoeba histolytica fatty acid elongase, putative 0.0331 0.1207 1
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.2548 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0027 0.0966
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0111 0.0335 0.0495
Entamoeba histolytica hypothetical protein 0.0111 0.0335 0.1402
Entamoeba histolytica hypothetical protein 0.0111 0.0335 0.1402
Brugia malayi Muscleblind-like protein 0.0154 0.0507 0.1012
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0075 0.0192 0.6987
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0219 0.0763 0.0739
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0075 0.0192 0.0275
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.0141 0.0282
Trichomonas vaginalis conserved hypothetical protein 0.0075 0.0192 1
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0075 0.0192 0.0357
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0412 0.153 0.2341
Brugia malayi latrophilin 2 splice variant baaae 0.0252 0.0892 0.178
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0045 0.0062
Mycobacterium ulcerans lipase LipD 0.0038 0.0045 0.0019
Loa Loa (eye worm) hypothetical protein 0.0038 0.0045 0.009
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0693 0.2644 0.5262
Mycobacterium ulcerans beta-lactamase 0.0038 0.0045 0.0019
Onchocerca volvulus 0.0038 0.0045 0.1356
Mycobacterium tuberculosis Probable reductase 0.0219 0.0763 0.0739
Echinococcus granulosus thioredoxin glutathione reductase 0.0096 0.0275 0.0523
Loa Loa (eye worm) glutathione reductase 0.0096 0.0275 0.055
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.2548 1 1
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0045 0.0019
Echinococcus multilocularis ubiquitin specific protease 41 0.0075 0.0192 0.0275
Schistosoma mansoni hypothetical protein 0.0116 0.0356 0.0685
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0033 0.0027 0.0025
Loa Loa (eye worm) hypothetical protein 0.0038 0.0045 0.009
Brugia malayi Cytochrome P450 family protein 0.0049 0.0087 0.0174
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0045 0.0019
Schistosoma mansoni hypothetical protein 0.0116 0.0356 0.0685
Trichomonas vaginalis esterase, putative 0.0038 0.0045 0.1116
Echinococcus granulosus insulin receptor 0.0412 0.153 0.3033
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0027 0.0966
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0412 0.153 0.3033
Echinococcus granulosus jumonji domain containing protein 0.0042 0.0061 0.0094
Brugia malayi Furin-like cysteine rich region family protein 0.129 0.5012 1
Loa Loa (eye worm) TK/INSR protein kinase 0.0412 0.153 0.3052
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0045 0.1638
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0116 0.0356 0.0529
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0033 0.0027 0.0025
Trypanosoma cruzi trypanothione reductase, putative 0.0096 0.0275 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0045 0.009
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0045 0.009
Schistosoma mansoni tyrosine kinase 0.0693 0.2644 0.5262
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0093 0.0186
Mycobacterium tuberculosis Probable dehydrogenase 0.0219 0.0763 0.0739
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0045 0.1116
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0027 0.0966
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0231 0.081 0.1616
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0045 0.0019
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0154 0.0281
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.2548 1 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0033 0.0027 0.0966
Schistosoma mansoni hypothetical protein 0.0116 0.0356 0.0685
Schistosoma mansoni hypothetical protein 0.0111 0.0335 0.0641
Brugia malayi PHD-finger family protein 0.003 0.0014 0.0028
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0088 0.0242 0.0456
Trypanosoma brucei trypanothione reductase 0.0096 0.0275 1
Plasmodium vivax glutathione reductase, putative 0.0096 0.0275 0.0275
Loa Loa (eye worm) hypothetical protein 0.0038 0.0045 0.009
Brugia malayi beta-lactamase family protein 0.0038 0.0045 0.009
Leishmania major hypothetical protein, conserved 0.0038 0.0045 0.1638
Onchocerca volvulus 0.0038 0.0045 0.1356
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0093 0.0158
Brugia malayi Calcitonin receptor-like protein seb-1 0.0368 0.1354 0.2702

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.3 uM Growth inhibition of human H460 cells after 72 hrs by MTT assay ChEMBL. 20060306
IC50 (functional) = 0.3 uM Growth inhibition of human SW620 cells after 72 hrs by MTT assay ChEMBL. 20060306
IC50 (functional) = 1 uM Growth inhibition of human HCT116 cells after 72 hrs by MTT assay ChEMBL. 20060306
IC50 (functional) = 1 uM Growth inhibition of human MCF7 cells after 72 hrs by MTT assay ChEMBL. 20060306
IC50 (functional) = 1 uM Growth inhibition of human MOLT4 cells after 72 hrs by MTT assay ChEMBL. 20060306
LD50 (ADMET) = 249.8 mg kg-1 Acute toxicity in po dosed BALB/c mouse ChEMBL. 20060306

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 20060306

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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