Detailed information for compound 1584001

Basic information

Technical information
  • TDR Targets ID: 1584001
  • Name: 1-(5-chloro-1H-indol-3-yl)propan-2-ylazanium chloride
  • MW: 245.148 | Formula: C11H14Cl2N2
  • H donors: 2 H acceptors: 0 LogP: 3.23 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(Cc1c[nH]c2c1cc(Cl)cc2)N.Cl
  • InChi: 1S/C11H13ClN2.ClH/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11;/h2-3,5-7,14H,4,13H2,1H3;1H
  • InChiKey: ZPKPOALZYQCCES-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-(5-chloro-1H-indol-3-yl)-1-methyl-ethyl]ammonium chloride
  • [2-(5-chloro-1H-indol-3-yl)-1-methylethyl]ammonium chloride
  • 1203-99-2
  • 3-(2-Aminopropyl)-5-chloroindole hydrochloride
  • INDOLE, 3-(2-AMINOPROPYL)-5-CHLORO-, HYDROCHLORIDE
  • 1-(5-chloro-1H-indol-3-yl)propan-2-amine hydrochloride
  • [2-(5-chloro-1H-indol-3-yl)-1-methyl-ethyl]amine hydrochloride
  • SMR000143713
  • [2-(5-chloro-1H-indol-3-yl)-1-methylethyl]amine hydrochloride
  • NSC50457
  • MLS000537296
  • ST5447595

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus 5-hydroxytryptamine (serotonin) receptor 2A Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0084 0.0363 0.5
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0131 0.0742 0.3649
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0083 0.0354 0.042
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 1 0.0047 0.0067 0.033
Loa Loa (eye worm) solute carrier family 6 member 4 0.0292 0.2034 0.2679
Trypanosoma brucei heat shock protein, putative 0.0105 0.0535 0.1546
Plasmodium vivax amine transporter, putative 0.005 0.0088 0.0209
Loa Loa (eye worm) hhat protein 0.0096 0.0462 0.0608
Loa Loa (eye worm) hypothetical protein 0.0096 0.0462 0.0608
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.0462 0.1727
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0083 0.0354 0.1289
Toxoplasma gondii aspartyl protease ASP3 0.0171 0.1064 0.1031
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0131 0.0742 0.0934
Brugia malayi MBOAT family protein 0.0096 0.0462 0.2272
Toxoplasma gondii heat shock protein HSP90 0.0105 0.0535 0.0501
Trypanosoma brucei heat shock protein, putative 0.0105 0.0535 0.1546
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.005 0.0088 0.006
Schistosoma mansoni sodium/chloride dependent transporter 0.005 0.0088 0.006
Onchocerca volvulus 0.0091 0.0424 0.2083
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.0462 0.1727
Echinococcus multilocularis multidrug resistance protein 1 0.0058 0.0154 0.0155
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0096 0.0462 0.0563
Trypanosoma brucei heat shock protein, putative 0.0105 0.0535 0.1546
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0096 0.0462 0.0563
Echinococcus granulosus heat shock protein 0.0105 0.0535 0.066
Trypanosoma cruzi heat shock protein 85, putative 0.0105 0.0535 0.1546
Echinococcus granulosus sodium and chloride dependent glycine 0.005 0.0088 0.0068
Leishmania major heat shock protein 83-1 0.0105 0.0535 0.1546
Echinococcus multilocularis serotonin transporter 0.0292 0.2034 0.2643
Schistosoma mansoni spingomyelin synthetase-related 0.0047 0.0067 0.0036
Loa Loa (eye worm) hypothetical protein 0.0292 0.2034 0.2679
Loa Loa (eye worm) hypothetical protein 0.0083 0.0354 0.0466
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0083 0.0354 0.1289
Echinococcus multilocularis sodium and chloride dependent glycine 0.005 0.0088 0.0068
Echinococcus granulosus o acyltransferase membrane bound domain 0.0096 0.0462 0.0563
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0131 0.0742 0.0934
Loa Loa (eye worm) transcription factor SMAD2 0.0247 0.1671 0.2201
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.005 0.0088 0.006
Plasmodium falciparum plasmepsin III 0.0091 0.0424 0.1571
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0083 0.0354 0.1289
Trypanosoma brucei sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0445 0.3263 1
Plasmodium falciparum sphingomyelin synthase 1, putative 0.0047 0.0067 0.0125
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0096 0.0462 0.0563
Leishmania major heat shock protein 83-1 0.0105 0.0535 0.1546
Treponema pallidum alginate O-acetylation protein (algI) 0.0096 0.0462 0.0591
Trypanosoma brucei inositol phosphorylceramide synthase 0.0047 0.0067 0.0095
Leishmania major heat shock protein 83-1 0.0105 0.0535 0.1546
Echinococcus granulosus multidrug resistance protein 1 0.0058 0.0154 0.0155
Loa Loa (eye worm) hypothetical protein 0.0292 0.2034 0.2679
Leishmania major p-glycoprotein 0.0083 0.0354 0.0984
Loa Loa (eye worm) hypothetical protein 0.0047 0.0067 0.0088
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.0256 0.1257
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 3 0.0047 0.0067 0.033
Loa Loa (eye worm) hypothetical protein 0.0091 0.0424 0.0558
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0083 0.0354 0.0319
Plasmodium falciparum plasmepsin IV 0.035 0.25 1
Plasmodium falciparum plasmepsin VIII, putative 0.0091 0.0424 0.1571
Trypanosoma cruzi heat shock protein 90, putative 0.0084 0.0363 0.1013
Toxoplasma gondii hypothetical protein 0.005 0.0088 0.0052
Echinococcus multilocularis sterol O acyltransferase 1 0.0985 0.7592 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0083 0.0354 0.1289
Plasmodium falciparum sphingomyelin synthase 2, putative 0.0047 0.0067 0.0125
Leishmania major heat shock protein 83-1 0.0105 0.0535 0.1546
Echinococcus multilocularis endoplasmin 0.0084 0.0363 0.0432
Trichomonas vaginalis endoplasmin, putative 0.0065 0.0209 0.0699
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.0517 0.0681
Toxoplasma gondii heat shock protein 90, putative 0.0105 0.0535 0.0501
Trypanosoma cruzi heat shock protein 85, putative 0.0084 0.0363 0.1013
Plasmodium vivax aspartyl protease, putative 0.0171 0.1064 0.417
Loa Loa (eye worm) hypothetical protein 0.005 0.0088 0.0116
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0091 0.0424 0.0558
Plasmodium falciparum plasmepsin VII 0.0091 0.0424 0.1571
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0084 0.0363 0.0432
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0083 0.0354 0.1289
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0083 0.0354 0.1289
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.005 0.0088 0.006
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0083 0.0354 0.042
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.035 0.25 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.005 0.0088 0.0432
Echinococcus granulosus sodium and chloride dependent glycine 0.005 0.0088 0.0068
Leishmania major heat shock protein 83-1 0.0105 0.0535 0.1546
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0058 0.0154 0.0475
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.0517 0.2544
Toxoplasma gondii aspartyl protease ASP1 0.035 0.25 0.2472
Trichomonas vaginalis heat shock protein, putative 0.0084 0.0363 0.1327
Echinococcus multilocularis heat shock protein 90 0.0084 0.0363 0.0432
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0091 0.0424 0.0455
Trypanosoma brucei heat shock protein, putative 0.0105 0.0535 0.1546
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.035 0.25 0.2472
Brugia malayi Sphingomyelin synthase-related 1 0.0047 0.0067 0.033
Echinococcus granulosus heat shock protein 90 0.0084 0.0363 0.0432
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0084 0.0363 0.5
Trypanosoma brucei heat shock protein 90, putative 0.0105 0.0535 0.1546
Brugia malayi ABC transporter family protein 0.0083 0.0354 0.1741
Brugia malayi MBOAT family protein 0.0096 0.0462 0.2272
Plasmodium vivax heat shock protein 86, putative 0.0105 0.0535 0.2026
Plasmodium vivax multidrug resistance protein 1, putative 0.0083 0.0354 0.1289
Loa Loa (eye worm) aspartyl protease 6 0.0091 0.0424 0.0558
Leishmania major glycerol uptake protein, putative 0.0096 0.0462 0.1319
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0131 0.0742 0.0829
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0083 0.0354 0.1289
Trypanosoma cruzi glycerol uptake protein, putative 0.0096 0.0462 0.1319
Entamoeba histolytica hypothetical protein 0.0047 0.0067 0.0046
Trichomonas vaginalis abcb9, putative 0.0083 0.0354 0.1289
Loa Loa (eye worm) hypothetical protein 0.0091 0.0424 0.0558
Entamoeba histolytica P-glycoprotein-2, putative 0.0083 0.0354 0.048
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0091 0.0424 0.0455
Schistosoma mansoni cathepsin D (A01 family) 0.1103 0.8544 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.005 0.0088 0.0068
Leishmania major glycerol uptake protein, putative 0.0096 0.0462 0.1319
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0083 0.0354 0.1289
Schistosoma mansoni memapsin-2 (A01 family) 0.0091 0.0424 0.0455
Entamoeba histolytica P-glycoprotein-5 0.0083 0.0354 0.048
Loa Loa (eye worm) MBOAT family protein 0.0096 0.0462 0.0608
Leishmania major glycerol uptake protein, putative 0.0096 0.0462 0.1319
Trypanosoma brucei heat shock protein, putative 0.0105 0.0535 0.1546
Trypanosoma brucei sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0445 0.3263 1
Leishmania major heat shock protein 83-1 0.0105 0.0535 0.1546
Loa Loa (eye worm) hypothetical protein 0.007 0.0256 0.0337
Plasmodium vivax endoplasmin, putative 0.0105 0.0535 0.2026
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.005 0.0088 0.0052
Entamoeba histolytica hypothetical protein 0.0096 0.0462 0.0643
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0096 0.0462 0.05
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 1 0.0047 0.0067 0.033
Loa Loa (eye worm) serotonin transporter b 0.0292 0.2034 0.2679
Loa Loa (eye worm) heat shock protein 90 0.0105 0.0535 0.0705
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.035 0.25 0.326
Trichomonas vaginalis heat shock protein, putative 0.0105 0.0535 0.2026
Echinococcus granulosus uncharacterized sodium dependent transporter 0.005 0.0088 0.0068
Entamoeba histolytica hypothetical protein 0.0047 0.0067 0.0046
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0096 0.0462 0.0563
Leishmania major hypothetical protein, conserved 0.0096 0.0462 0.1319
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0096 0.0462 0.0608
Plasmodium vivax sphingomyelin synthase 1, putative 0.0047 0.0067 0.0125
Trichomonas vaginalis hypothetical protein 0.0047 0.0067 0.0125
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0292 0.2034 1
Entamoeba histolytica vacuolar protein sorting 26 0.0096 0.0462 0.0643
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0096 0.0462 0.0563
Schistosoma mansoni endoplasmin 0.0105 0.0535 0.0586
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.005 0.0088 0.0068
Echinococcus granulosus multidrug resistance protein 1 0.0083 0.0354 0.042
Brugia malayi Sodium:neurotransmitter symporter family protein 0.005 0.0088 0.0432
Loa Loa (eye worm) hypothetical protein 0.005 0.0088 0.0116
Loa Loa (eye worm) hypothetical protein 0.035 0.25 0.3293
Trypanosoma brucei heat shock protein, putative 0.0105 0.0535 0.1546
Loa Loa (eye worm) hypothetical protein 0.0047 0.0067 0.0088
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0083 0.0354 0.1289
Trichomonas vaginalis heat shock protein, putative 0.0084 0.0363 0.1327
Trichomonas vaginalis transmembrane protein nessy, putative 0.0096 0.0462 0.1727
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0083 0.0354 0.1289
Plasmodium falciparum plasmepsin I 0.035 0.25 1
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0096 0.0462 0.0608
Schistosoma mansoni sodium/chloride dependent transporter 0.0292 0.2034 0.2347
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0096 0.0462 0.0643
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0091 0.0424 0.0388
Loa Loa (eye worm) hypothetical protein 0.005 0.0088 0.0116
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.035 0.25 0.2895
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0096 0.0462 0.1727
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0096 0.0462 0.0563
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.005 0.0088 0.006
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0096 0.0462 0.0643
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0083 0.0354 0.1289
Onchocerca volvulus 0.005 0.0088 0.0432
Plasmodium vivax sphingomyelin synthase 2, putative 0.0047 0.0067 0.0125
Trypanosoma cruzi heat shock protein 85, putative 0.0105 0.0535 0.1546
Brugia malayi Sodium:neurotransmitter symporter family protein 0.005 0.0088 0.0432
Schistosoma mansoni zinc finger protein 0.0096 0.0462 0.05
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0047 0.0067 0.0125
Entamoeba histolytica heat shock protein 90, putative 0.0105 0.0535 0.0754
Loa Loa (eye worm) hypothetical protein 0.0083 0.0354 0.0466
Plasmodium falciparum sphingomyelin synthase 1, putative 0.0047 0.0067 0.0125
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.005 0.0088 0.0068
Loa Loa (eye worm) hypothetical protein 0.0047 0.0067 0.0088
Trypanosoma cruzi GUP1, putative 0.0096 0.0462 0.1319
Loa Loa (eye worm) hypothetical protein 0.005 0.0088 0.0116
Toxoplasma gondii hypothetical protein 0.0047 0.0067 0.0031
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0047 0.0067 0.033
Echinococcus granulosus multidrug resistance protein 1 0.0058 0.0154 0.0155
Plasmodium vivax aspartyl protease, putative 0.0171 0.1064 0.417
Trypanosoma cruzi heat shock protein 90, putative 0.0105 0.0535 0.1546
Entamoeba histolytica P-glycoprotein 5, putative 0.0083 0.0354 0.048
Schistosoma mansoni multidrug resistance protein 0.0083 0.0354 0.0373
Schistosoma mansoni smdr2 0.0083 0.0354 0.0373
Loa Loa (eye worm) hypothetical protein 0.005 0.0088 0.0116
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0083 0.0354 0.042
Leishmania major heat shock protein 83-1 0.0105 0.0535 0.1546
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.0462 0.1727
Trichomonas vaginalis heat shock protein, putative 0.0084 0.0363 0.1327
Echinococcus granulosus heat shock protein 90 0.0105 0.0535 0.066
Trypanosoma cruzi glycerol uptake protein, putative 0.0096 0.0462 0.1319
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0131 0.0742 0.0934
Leishmania major heat shock protein 83-1 0.0105 0.0535 0.1546
Plasmodium falciparum heat shock protein 90 0.0105 0.0535 0.2026
Schistosoma mansoni hypothetical protein 0.007 0.0256 0.0258
Onchocerca volvulus 0.0096 0.0462 0.2272
Leishmania major glycerol uptake protein, putative 0.0096 0.0462 0.1319
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0083 0.0354 0.0466
Leishmania major heat shock protein 83-1 0.0105 0.0535 0.1546
Loa Loa (eye worm) aspartic protease BmAsp-2 0.035 0.25 0.3293
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0096 0.0462 0.0427
Entamoeba histolytica P-glycoprotein-1 0.0083 0.0354 0.048
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0083 0.0354 0.0984
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0131 0.0742 0.0977
Trypanosoma brucei glycerol uptake protein, putative 0.0096 0.0462 0.1319
Brugia malayi Hsp90 protein 0.0043 0.0036 0.0179
Schistosoma mansoni endoplasmin 0.0105 0.0535 0.0586
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.0517 0.2544
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.005 0.0088 0.006
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0083 0.0354 0.042
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0083 0.0354 0.042
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0096 0.0462 0.05
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0083 0.0354 0.1289
Brugia malayi hypothetical protein 0.005 0.0088 0.0432
Leishmania major heat shock protein 83-1 0.0105 0.0535 0.1546
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0047 0.0067 0.0125
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0083 0.0354 0.042
Onchocerca volvulus 0.0083 0.0354 0.1741
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0083 0.0354 1
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0067 0.0125
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0292 0.2034 0.2347
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0096 0.0462 0.0563
Echinococcus granulosus sterol O acyltransferase 1 0.0985 0.7592 1
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0096 0.0462 0.0563
Plasmodium vivax plasmepsin V, putative 0.0091 0.0424 0.1571
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0083 0.0354 0.1289
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0083 0.0354 0.1289
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0096 0.0462 0.0563
Brugia malayi MBOAT family protein 0.0096 0.0462 0.2272
Entamoeba histolytica hypothetical protein 0.0047 0.0067 0.0046
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0091 0.0424 0.0455
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.005 0.0088 0.006
Brugia malayi Eukaryotic aspartyl protease family protein 0.0091 0.0424 0.2083
Loa Loa (eye worm) endoplasmin 0.0105 0.0535 0.0705
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0091 0.0424 0.0455
Trichomonas vaginalis ABC transporter, putative 0.0083 0.0354 0.1289
Schistosoma mansoni heat shock protein 0.0105 0.0535 0.0586
Brugia malayi multidrug resistance protein 3 0.0083 0.0354 0.1741
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0091 0.0424 0.0455
Toxoplasma gondii hypothetical protein 0.0096 0.0462 0.0427
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0047 0.0067 0.0125
Leishmania major heat shock protein 83-1 0.0105 0.0535 0.1546
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0083 0.0354 0.1289
Leishmania major heat shock protein 83-1 0.0105 0.0535 0.1546
Echinococcus multilocularis heat shock protein 90 0.0105 0.0535 0.066
Plasmodium falciparum plasmepsin IX 0.0171 0.1064 0.417
Loa Loa (eye worm) multidrug resistance protein 3 0.0083 0.0354 0.0466
Plasmodium falciparum plasmepsin X 0.0171 0.1064 0.417
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0082 0.0347 0.0411
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0091 0.0424 0.0455
Plasmodium vivax aspartyl protease, putative 0.0091 0.0424 0.1571
Echinococcus granulosus serotonin transporter 0.0292 0.2034 0.2643
Plasmodium vivax plasmepsin IV, putative 0.035 0.25 1
Echinococcus granulosus multidrug resistance protein 1 0.0083 0.0354 0.042
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.005 0.0088 0.0052
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0083 0.0354 0.042
Toxoplasma gondii aspartyl protease 0.0091 0.0424 0.0388
Echinococcus multilocularis multidrug resistance protein 1 0.0083 0.0354 0.042
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.005 0.0088 0.0052
Plasmodium falciparum multidrug resistance protein 1 0.0083 0.0354 0.1289
Loa Loa (eye worm) hhat protein 0.0096 0.0462 0.0608
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0096 0.0462 0.0563
Plasmodium falciparum endoplasmin, putative 0.0065 0.0209 0.0699
Echinococcus granulosus endoplasmin 0.0084 0.0363 0.0432
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0084 0.0363 0.1013
Loa Loa (eye worm) hypothetical protein 0.0103 0.0517 0.0681
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0083 0.0354 0.1289
Schistosoma mansoni heat shock protein 0.0105 0.0535 0.0586
Leishmania major phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0445 0.3263 1
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0096 0.0462 0.0563
Brugia malayi MBOAT family protein 0.0096 0.0462 0.2272
Trypanosoma cruzi heat shock protein 85, putative 0.0105 0.0535 0.1546
Brugia malayi Hhat protein 0.0096 0.0462 0.2272
Entamoeba histolytica hypothetical protein 0.0047 0.0067 0.0046
Loa Loa (eye worm) hypothetical protein 0.0047 0.0067 0.0088
Entamoeba histolytica P-glyco protein 6, putative 0.0083 0.0354 0.048
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0083 0.0354 0.1289
Echinococcus granulosus o acyltransferase membrane bound domain 0.0096 0.0462 0.0563
Brugia malayi Endoplasmin precursor 0.0105 0.0535 0.2633
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0083 0.0354 0.1289
Leishmania major heat shock protein 83-1 0.0105 0.0535 0.1546
Giardia lamblia Heat shock protein HSP 90-alpha 0.0105 0.0535 1
Trichomonas vaginalis abcb9, putative 0.0083 0.0354 0.1289
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0047 0.0067 0.033
Loa Loa (eye worm) MBOAT family protein 0.0096 0.0462 0.0608
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0096 0.0462 0.0427
Onchocerca volvulus 0.0091 0.0424 0.2083
Treponema pallidum sodium- and chloride- dependent transporter 0.0292 0.2034 1
Trypanosoma cruzi glycerol uptake protein, putative 0.0096 0.0462 0.1319
Schistosoma mansoni hypothetical protein 0.0096 0.0462 0.05
Echinococcus multilocularis heat shock protein 0.0105 0.0535 0.066
Brugia malayi diacylglycerol acyltransferase 0.0096 0.0462 0.2272
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0083 0.0354 0.1289
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0083 0.0354 0.1289
Trichomonas vaginalis abcb9, putative 0.0083 0.0354 0.1289
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0083 0.0354 0.042
Loa Loa (eye worm) hypothetical protein 0.005 0.0088 0.0116
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0096 0.0462 0.1727
Trichomonas vaginalis porcupine, putative 0.0096 0.0462 0.1727
Trypanosoma brucei heat shock protein, putative 0.0105 0.0535 0.1546
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.005 0.0088 0.006
Trichomonas vaginalis ABC transporter, putative 0.0083 0.0354 0.1289
Loa Loa (eye worm) hypothetical protein 0.005 0.0088 0.0116
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.005 0.0088 0.0116
Echinococcus multilocularis sphingomyelin synthase protein 1 0.0047 0.0067 0.0041
Trichomonas vaginalis ABC transporter, putative 0.0083 0.0354 0.1289
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.035 0.25 0.326
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.005 0.0088 0.0068
Trypanosoma brucei glycerol uptake protein, putative 0.0096 0.0462 0.1319
Schistosoma mansoni sodium/chloride dependent transporter 0.005 0.0088 0.006
Trichomonas vaginalis heat shock protein, putative 0.0065 0.0209 0.0699
Trichomonas vaginalis ABC transporter, putative 0.0083 0.0354 0.1289
Brugia malayi Pepsin A precursor 0.0091 0.0424 0.2083
Loa Loa (eye worm) hypothetical protein 0.0096 0.0462 0.0608
Leishmania major glycerol uptake protein, putative 0.0096 0.0462 0.1319
Brugia malayi aspartic protease BmAsp-2, identical 0.0091 0.0424 0.2083
Echinococcus granulosus o acyltransferase membrane bound domain 0.0096 0.0462 0.0563
Schistosoma mansoni sodium-dependent amino acid transporter 0.005 0.0088 0.006
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0083 0.0354 0.1289
Trypanosoma brucei heat shock protein, putative 0.0105 0.0535 0.1546
Echinococcus multilocularis multidrug resistance protein 1 0.0083 0.0354 0.042
Trichomonas vaginalis taga, putative 0.0083 0.0354 0.1289
Plasmodium vivax aspartyl proteinase, putative 0.035 0.25 1
Trypanosoma cruzi sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0445 0.3263 1
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0096 0.0462 0.0643
Loa Loa (eye worm) norepinephrine transporter 0.0292 0.2034 0.2679
Entamoeba histolytica P-glycoprotein-2 0.0083 0.0354 0.048
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0091 0.0424 0.0455
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.005 0.0088 0.0116
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0047 0.0067 0.0125
Plasmodium falciparum amino acid transporter, putative 0.005 0.0088 0.0209
Leishmania major heat shock protein 83-1 0.0105 0.0535 0.1546
Loa Loa (eye worm) MH2 domain-containing protein 0.0247 0.1671 0.2201
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0091 0.0424 0.0455
Entamoeba histolytica heat shock protein 90, putative 0.0105 0.0535 0.0754
Trypanosoma cruzi sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0445 0.3263 1
Plasmodium vivax hypothetical protein, conserved 0.005 0.0088 0.0209
Onchocerca volvulus 0.0292 0.2034 1
Toxoplasma gondii hypothetical protein 0.005 0.0088 0.0052
Leishmania major heat shock protein 83-1 0.0105 0.0535 0.1546
Trypanosoma brucei heat shock protein 90, putative 0.0105 0.0535 0.1546
Echinococcus granulosus multidrug resistance protein 1 0.0083 0.0354 0.042
Plasmodium vivax aspartyl proteinase, putative 0.0091 0.0424 0.1571
Loa Loa (eye worm) hypothetical protein 0.0096 0.0462 0.0608
Brugia malayi hypothetical protein 0.0091 0.0424 0.2083
Loa Loa (eye worm) hypothetical protein 0.0292 0.2034 0.2679
Entamoeba histolytica hypothetical protein 0.0047 0.0067 0.0046
Entamoeba histolytica hypothetical membrane-spanning protein 0.0047 0.0067 0.0046
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0096 0.0462 0.05
Schistosoma mansoni multidrug resistance protein 0.0083 0.0354 0.0373
Echinococcus granulosus uncharacterized sodium dependent transporter 0.005 0.0088 0.0068
Echinococcus multilocularis ATP binding cassette sub family B 0.0082 0.0347 0.0411
Loa Loa (eye worm) heat shock protein 75 0.0043 0.0036 0.0048
Trypanosoma cruzi GUP1, putative 0.0096 0.0462 0.1319
Brugia malayi MH2 domain containing protein 0.0247 0.1671 0.8218
Trypanosoma cruzi heat shock protein 90, putative 0.0062 0.0189 0.0473
Plasmodium falciparum plasmepsin II 0.035 0.25 1
Leishmania major heat shock protein 83-1 0.0105 0.0535 0.1546
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0084 0.0363 1
Entamoeba histolytica hypothetical protein, conserved 0.0868 0.6653 1
Onchocerca volvulus 0.005 0.0088 0.0432
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0083 0.0354 0.1289
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.005 0.0088 0.0068
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.005 0.0088 0.006
Schistosoma mansoni sterol O-acyltransferase 1 0.0985 0.7592 0.8881
Loa Loa (eye worm) hypothetical protein 0.0082 0.0347 0.0457
Loa Loa (eye worm) hypothetical protein 0.0888 0.682 0.8983
Loa Loa (eye worm) hypothetical protein 0.0047 0.0067 0.0088
Loa Loa (eye worm) MBOAT family protein 0.0096 0.0462 0.0608
Brugia malayi aspartic protease BmAsp-1, identical 0.0091 0.0424 0.2083
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0043 0.0036 0.0179
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.005 0.0088 0.0068
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0131 0.0742 0.0934
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.005 0.0088 0.0432
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0096 0.0462 0.0563
Brugia malayi heat shock protein 90 0.0105 0.0535 0.2633
Schistosoma mansoni multidrug resistance protein 0.0083 0.0354 0.0373
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0083 0.0354 0.042
Brugia malayi hypothetical protein 0.0091 0.0424 0.2083
Brugia malayi MBOAT family protein 0.0096 0.0462 0.2272
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0096 0.0462 0.05
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0083 0.0354 0.0319
Loa Loa (eye worm) hypothetical protein 0.0047 0.0067 0.0088
Plasmodium falciparum plasmepsin V 0.0091 0.0424 0.1571
Plasmodium falciparum transporter, putative 0.005 0.0088 0.0209
Loa Loa (eye worm) hypothetical protein 0.0985 0.7592 1
Onchocerca volvulus 0.005 0.0088 0.0432
Schistosoma mansoni cathepsin D (A01 family) 0.1103 0.8544 1
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0096 0.0462 0.05
Plasmodium falciparum plasmepsin VI 0.035 0.25 1
Leishmania major heat shock protein 83-1 0.0105 0.0535 0.1546
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0096 0.0462 0.0563
Trypanosoma cruzi Heat shock protein 83, putative 0.0105 0.0535 0.1546
Entamoeba histolytica hypothetical protein, conserved 0.0096 0.0462 0.0643
Trypanosoma brucei ceramide phosphorylethanolamine synthase 0.0047 0.0067 0.0095
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0096 0.0462 0.05
Mycobacterium ulcerans heat shock protein 90 0.0084 0.0363 0.5
Echinococcus granulosus sphingomyelin synthase protein 1 0.0047 0.0067 0.0041
Entamoeba histolytica P-glycoprotein-2 0.0083 0.0354 0.048
Trypanosoma brucei Heat shock protein 83, putative 0.0105 0.0535 0.1546

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 1.641 uM PubChem BioAssay. Luminescence-based cell-based high throughput dose response assay for agonists of the mouse 5-hydroxytryptamine (serotonin) receptor 2A (HTR2A). (Class of assay: confirmatory) ChEMBL. No reference
EC50 (functional) 92.48 uM PubChem BioAssay. Counterscreen for agonists of the mouse 5-hydroxytryptamine (serotonin) receptor 2A (HTR2A): Luminescence-based cell-based high throughput dose response assay to identify agonists of the mu 1 opioid receptor (OPRM1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.2589 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) 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.
 
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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