Detailed information for compound 942885

Basic information

Technical information
  • TDR Targets ID: 942885
  • Name: 3-[(2-chlorophenyl)methylsulfanyl]-5H-[1,2,4] triazino[5,6-b]indole
  • MW: 326.803 | Formula: C16H11ClN4S
  • H donors: 1 H acceptors: 3 LogP: 4.05 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccccc1CSc1nnc2c(n1)[nH]c1c2cccc1
  • InChi: 1S/C16H11ClN4S/c17-12-7-3-1-5-10(12)9-22-16-19-15-14(20-21-16)11-6-2-4-8-13(11)18-15/h1-8H,9H2,(H,18,19,21)
  • InChiKey: BUWZNQAPWHNMKF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[(2-chlorophenyl)methylthio]-5H-[1,2,4]triazino[5,6-b]indole
  • 3-[(2-chlorobenzyl)thio]-5H-[1,2,4]triazino[5,6-b]indole
  • Oprea1_757348
  • ZINC00159756
  • ST5105611

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cannabinoid receptor 2 (macrophage) Starlite/ChEMBL References

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
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0079 0.0391
Schistosoma mansoni importin beta-1 0.0029 0.0069 0.0069
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.004 0.1868
Giardia lamblia Kinase, CMGC MAPK 0.005 0.0151 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0453 0.1658 0.1658
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0068 0.0216 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0071 0.1725
Brugia malayi Major Facilitator Superfamily protein 0.0014 0.0015 0.0015
Schistosoma mansoni neuroligin 3 (S09 family) 0.0453 0.1658 0.1658
Onchocerca volvulus 0.0014 0.0015 0.0092
Schistosoma mansoni hypothetical protein 0.0101 0.0341 0.0341
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0114 0.0114
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0101 0.0341 0.0341
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0071 0.0071
Echinococcus multilocularis BC026374 protein (S09 family) 0.0453 0.1658 0.1658
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0096 0.0321 0.0321
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0055 0.1739
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.0151 0.5881
Loa Loa (eye worm) hypothetical protein 0.0014 0.0015 0.0015
Trypanosoma cruzi hexose transporter, putative 0.0031 0.0079 0.2791
Onchocerca volvulus 0.0014 0.0015 0.0092
Brugia malayi hypothetical protein 0.0014 0.0015 0.0015
Schistosoma mansoni voltage-gated potassium channel KCNQ 0.0103 0.0348 0.0348
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0076 0.0245 0.1402
Mycobacterium ulcerans lipase LipD 0.0037 0.01 0.0515
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0071 0.0071
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.01 0.0515
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0004 0.0004
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0076 0.0245 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0071 0.1725
Schistosoma mansoni hypothetical protein 0.0031 0.0078 0.0078
Echinococcus granulosus snurportin 1 0.0305 0.1102 0.1102
Brugia malayi PHD-finger family protein 0.0011 0.0004 0.0004
Onchocerca volvulus 0.0028 0.0066 0.0398
Brugia malayi major facilitator superfamily protein 0.0014 0.0015 0.0015
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.01 0.01
Schistosoma mansoni jumonji domain containing protein 0.0076 0.0247 0.0247
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0078 0.0078
Onchocerca volvulus 0.0453 0.1658 1
Echinococcus multilocularis synaptic vesicle 2 protein 0.0014 0.0015 0.0015
Plasmodium falciparum phd finger protein, putative 0.0029 0.0071 0.1999
Onchocerca volvulus 0.0014 0.0015 0.0092
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.004 0.0776
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.0151 0.5881
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0032 0.071
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.2682 1 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0015 0.0015
Mycobacterium tuberculosis Conserved protein 0.0037 0.01 0.0515
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0101 0.0341 0.0341
Onchocerca volvulus 0.0014 0.0015 0.0092
Schistosoma mansoni acetylcholinesterase 0.0453 0.1658 0.1658
Echinococcus multilocularis neuroligin 0.0453 0.1658 0.1658
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.01 0.0515
Loa Loa (eye worm) sugar transporter 0.0101 0.0341 0.0341
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.01 0.0515
Loa Loa (eye worm) hypothetical protein 0.0014 0.0015 0.0015
Schistosoma mansoni glucose transport protein 0.0101 0.0341 0.0341
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0031 0.0078 0.0078
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0096 0.0321 0.0321
Echinococcus multilocularis carboxylesterase 5A 0.2682 1 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0015 0.0015
Trichomonas vaginalis glucose transporter, putative 0.0031 0.0079 0.0391
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0032 0.01
Brugia malayi Carboxylesterase family protein 0.0453 0.1658 0.1658
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0076 0.0245 1
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0103 0.0348 0.0348
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.004 0.1082
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0078 0.0078
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.01 0.0515
Onchocerca volvulus 0.0014 0.0015 0.0092
Echinococcus granulosus dnaJ subfamily B 0.0396 0.1446 0.1446
Brugia malayi Bromodomain containing protein 0.0029 0.0071 0.0071
Echinococcus multilocularis solute carrier family 22 0.0014 0.0015 0.0015
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0032 0.071
Toxoplasma gondii ABC1 family protein 0.0037 0.01 0.2595
Schistosoma mansoni glucose transport protein 0.0101 0.0341 0.0341
Brugia malayi CXXC zinc finger family protein 0.0028 0.0066 0.0066
Trypanosoma brucei glucose transporter 1E 0.0031 0.0079 0.2791
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0453 0.1658 0.1658
Echinococcus granulosus para nitrobenzyl esterase 0.0453 0.1658 0.1658
Brugia malayi Sugar transporter family protein 0.0014 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0453 0.1658 0.1658
Loa Loa (eye worm) hypothetical protein 0.0025 0.0055 0.0055
Echinococcus granulosus General substrate transporter 0.0087 0.0288 0.0288
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.0151 0.0151
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0094 0.0094
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.004 0.1098
Brugia malayi Carboxylesterase family protein 0.0453 0.1658 0.1658
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0182 0.0182
Giardia lamblia PHD finger protein 15 0.0029 0.0071 0.415
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0071 0.0071
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0079 0.0391
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.0151 0.0151
Onchocerca volvulus 0.0014 0.0015 0.0092
Echinococcus granulosus carboxylesterase 5A 0.2682 1 1
Echinococcus granulosus solute carrier family 22 0.0014 0.0015 0.0015
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.01 0.01
Leishmania major glucose transporter, lmgt2 0.0031 0.0079 0.2791
Brugia malayi hypothetical protein 0.0025 0.0055 0.0055
Echinococcus granulosus importin subunit beta 1 0.0029 0.0069 0.0069
Echinococcus multilocularis peregrin 0.0029 0.0071 0.0071
Loa Loa (eye worm) hypothetical protein 0.0037 0.01 0.01
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0101 0.0341 0.0341
Onchocerca volvulus 0.0014 0.0015 0.0092
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.0151 0.5881
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0235 0.0843 0.5038
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0055 0.1739
Loa Loa (eye worm) hypothetical protein 0.0453 0.1658 0.1658
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0048 0.1446
Trypanosoma brucei glucose transporter, putative 0.0031 0.0079 0.2791
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0014 0.0015 0.0015
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0032 0.071
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0055 0.1229
Loa Loa (eye worm) hypothetical protein 0.0014 0.0015 0.0015
Brugia malayi jmjC domain containing protein 0.0037 0.01 0.01
Onchocerca volvulus 0.0014 0.0015 0.0092
Onchocerca volvulus Alhambra homolog 0.0029 0.0071 0.0431
Onchocerca volvulus 0.0014 0.0015 0.0092
Trypanosoma brucei glucose transporter, putative 0.0031 0.0079 0.2791
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0048 0.0203
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0078 0.0078
Onchocerca volvulus Putative transporter 0.0014 0.0015 0.0092
Onchocerca volvulus 0.0014 0.0015 0.0092
Loa Loa (eye worm) hypothetical protein 0.0014 0.0015 0.0015
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0214 0.0214
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0182 0.0182
Echinococcus granulosus GPCR family 2 0.0031 0.0078 0.0078
Onchocerca volvulus 0.0453 0.1658 1
Loa Loa (eye worm) carboxylesterase 0.0453 0.1658 0.1658
Loa Loa (eye worm) hypothetical protein 0.0014 0.0015 0.0015
Loa Loa (eye worm) carboxylesterase 0.0453 0.1658 0.1658
Schistosoma mansoni glucose transport protein 0.0101 0.0341 0.0341
Trichomonas vaginalis conserved hypothetical protein 0.0101 0.0341 0.1984
Loa Loa (eye worm) inositol-1 0.0076 0.0245 0.0245
Onchocerca volvulus 0.0014 0.0015 0.0092
Onchocerca volvulus 0.0014 0.0015 0.0092
Mycobacterium tuberculosis Carboxylesterase LipT 0.0453 0.1658 1
Entamoeba histolytica hypothetical protein 0.0023 0.0048 0.0792
Echinococcus granulosus cpg binding protein 0.0029 0.0072 0.0072
Echinococcus multilocularis cpg binding protein 0.0029 0.0072 0.0072
Toxoplasma gondii exonuclease III APE 0.0019 0.0032 0.0502
Mycobacterium tuberculosis Conserved protein 0.0037 0.01 0.0515
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0055 0.1739
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.0151 0.0151
Trypanosoma cruzi hexose transporter, putative 0.0017 0.0026 0.0476
Brugia malayi Major Facilitator Superfamily protein 0.0014 0.0015 0.0015
Mycobacterium ulcerans carboxylesterase, LipT 0.0453 0.1658 1
Leishmania major hypothetical protein, conserved 0.0037 0.01 0.3672
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0101 0.0341 0.0341
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0101 0.0341 0.0341
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0011 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0014 0.0015 0.0015
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0069 0.1642
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0101 0.0341 0.0341
Brugia malayi Importin beta-1 subunit 0.0029 0.0069 0.0069
Brugia malayi MAP kinase sur-1 0.005 0.0151 0.0151
Loa Loa (eye worm) hypothetical protein 0.0098 0.033 0.033
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.01 0.0515
Echinococcus granulosus potassium channel KvQLT family member kqt 1 0.0103 0.0348 0.0348
Loa Loa (eye worm) hypothetical protein 0.0011 0.0004 0.0004
Trypanosoma cruzi hexose transporter, putative 0.0031 0.0079 0.2791
Brugia malayi beta-lactamase family protein 0.0037 0.01 0.01
Trypanosoma brucei THT1 - hexose transporter, putative 0.0031 0.0079 0.2791
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.01 0.0515
Echinococcus multilocularis para nitrobenzyl esterase 0.0453 0.1658 0.1658
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0076 0.0245 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0032 0.0816
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0032 0.071
Echinococcus granulosus Sugar transporter ERD6 protein 0.0014 0.0015 0.0015
Trypanosoma brucei glucose transporter 2A 0.0031 0.0079 0.2791
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.01 0.3672
Trichomonas vaginalis glucose transporter, putative 0.0031 0.0079 0.0391
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0305 0.1102 0.1102
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0453 0.1658 0.1658
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0032 0.0032
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0055 0.152
Schistosoma mansoni sugar transporter 0.0014 0.0015 0.0015
Brugia malayi beta-lactamase 0.0037 0.01 0.01
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0151 0.5881
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0453 0.1658 1
Entamoeba histolytica Ran family GTPase 0.0021 0.004 0.0418
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0076 0.0245 1
Onchocerca volvulus 0.0037 0.01 0.0602
Schistosoma mansoni hypothetical protein 0.0031 0.0078 0.0078
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.01 0.01
Plasmodium falciparum major facilitator superfamily domain-containing protein, putative 0.0014 0.0015 0.0331
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.033 0.033
Trichomonas vaginalis esterase, putative 0.0037 0.01 0.0515
Onchocerca volvulus 0.0453 0.1658 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0066 0.0066
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0055 0.152
Loa Loa (eye worm) hypothetical protein 0.0014 0.0015 0.0015
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0032 0.1207
Loa Loa (eye worm) hypothetical protein 0.0453 0.1658 0.1658
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.01 0.3672
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0182 0.5125
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.004 0.004
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.01 0.01
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0048 0.0203
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0151 0.0824
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0078 0.0078
Loa Loa (eye worm) acetylcholinesterase 1 0.2682 1 1
Plasmodium falciparum importin beta, putative 0.0029 0.0069 0.1919
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0069 0.2323
Schistosoma mansoni ran 0.0021 0.004 0.004
Trypanosoma brucei glucose transporter, putative 0.0031 0.0079 0.2791
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0188 0.0188
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0016 0.0024 0.0024
Schistosoma mansoni hypothetical protein 0.0396 0.1446 0.1446
Trichomonas vaginalis ran, putative 0.0021 0.004 0.0154
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0078 0.0078
Leishmania major importin beta-1 subunit, putative 0.0023 0.0048 0.1446
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.0151 0.4156
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0032 0.0032
Echinococcus granulosus solute carrier family 22 0.0014 0.0015 0.0015
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.01 0.01
Trypanosoma brucei protein kinase, putative 0.005 0.0151 0.5881
Onchocerca volvulus 0.0014 0.0015 0.0092
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0071 0.1999
Brugia malayi Sugar transporter family protein 0.0014 0.0015 0.0015
Leishmania major hypothetical protein, conserved 0.0025 0.0055 0.1739
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0078 0.0078
Schistosoma mansoni cpg binding protein 0.0029 0.0072 0.0072
Brugia malayi hypothetical protein 0.0016 0.0022 0.0022
Schistosoma mansoni hypothetical protein 0.0011 0.0004 0.0004
Echinococcus multilocularis solute carrier family 22 0.0014 0.0015 0.0015
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0011 0.0003 0.0003
Schistosoma mansoni cpg binding protein 0.0029 0.0072 0.0072
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0076 0.0245 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0182 0.1016
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0032 0.5
Onchocerca volvulus 0.0453 0.1658 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0182 0.1016
Loa Loa (eye worm) voltage-gated potassium channel 0.01 0.0336 0.0336
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0453 0.1658 1
Echinococcus multilocularis dnaJ subfamily B 0.0396 0.1446 0.1446
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0032 0.0816
Brugia malayi Carboxylesterase family protein 0.0453 0.1658 0.1658
Echinococcus granulosus solute carrier family 22 0.0014 0.0015 0.0015
Brugia malayi Sugar transporter family protein 0.0101 0.0341 0.0341
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.004 0.1098
Schistosoma mansoni sugar transporter 0.0014 0.0015 0.0015
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0151 0.0824
Schistosoma mansoni ap endonuclease 0.0019 0.0032 0.0032
Brugia malayi Carboxylesterase family protein 0.2682 1 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.01 0.0515
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0151 0.0824
Schistosoma mansoni gliotactin 0.0453 0.1658 0.1658
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0151 0.5881
Brugia malayi PHD-finger family protein 0.0029 0.0071 0.0071
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0101 0.0341 0.0341
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.01 0.0515
Loa Loa (eye worm) hypothetical protein 0.0037 0.01 0.01
Onchocerca volvulus 0.0453 0.1658 1
Schistosoma mansoni glucose transporter 0.0014 0.0015 0.0015
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.01 0.01
Loa Loa (eye worm) hypothetical protein 0.0037 0.01 0.01
Trypanosoma brucei glucose transporter, putative 0.0031 0.0079 0.2791
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.01 0.3672
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.01 0.0515
Toxoplasma gondii facilitative glucose transporter GT1 0.0101 0.0341 1
Echinococcus granulosus acetylcholinesterase 0.2682 1 1
Brugia malayi hypothetical protein 0.0014 0.0015 0.0015
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0182 0.0182
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0048 0.0203
Echinococcus granulosus synaptic vesicle 2 protein 0.0014 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0453 0.1658 0.1658
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.004 0.1082
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.0159 0.4422
Schistosoma mansoni BC026374 protein (S09 family) 0.0453 0.1658 0.1658
Loa Loa (eye worm) hypothetical protein 0.0453 0.1658 0.1658
Echinococcus granulosus BC026374 protein S09 family 0.0453 0.1658 0.1658
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0182 0.7251
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.01 0.0515
Plasmodium falciparum hexose transporter 0.0101 0.0341 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0071 0.0071
Brugia malayi Carboxylesterase family protein 0.0453 0.1658 0.1658
Loa Loa (eye worm) hypothetical protein 0.0029 0.0069 0.0069
Plasmodium vivax hexose transporter 0.0101 0.0341 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.0151 0.0151
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0076 0.0245 0.1402
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0453 0.1658 0.1658
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.0151 0.5881
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0071 0.0071
Loa Loa (eye worm) hypothetical protein 0.0014 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0037 0.01 0.01
Schistosoma mansoni hypothetical protein 0.0067 0.0214 0.0214
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.01 0.0515
Brugia malayi major facilitator superfamily protein 0.0014 0.0015 0.0015
Brugia malayi Inositol-1 0.0076 0.0245 0.0245
Schistosoma mansoni sugar transporter 0.0014 0.0015 0.0015
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0032 0.0032
Echinococcus granulosus mitogen activated protein kinase 0.005 0.0151 0.0151
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0076 0.0245 1
Trypanosoma brucei glucose transporter, putative 0.0031 0.0079 0.2791
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0079 0.0391
Brugia malayi RNA, U transporter 1 0.0081 0.0266 0.0266
Trichomonas vaginalis spcc417.12 protein, putative 0.0453 0.1658 1
Trypanosoma cruzi hexose transporter 0.0031 0.0079 0.2791
Loa Loa (eye worm) beta-lactamase 0.0037 0.01 0.01
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.01 0.01
Leishmania major glucose transporter/membrane transporter D2, putative 0.0031 0.0079 0.2791
Echinococcus multilocularis solute carrier family 22 0.0014 0.0015 0.0015
Schistosoma mansoni ap endonuclease 0.0019 0.0032 0.0032
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0079 0.0391
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.033 0.033
Echinococcus multilocularis GPCR, family 2 0.0031 0.0078 0.0078
Loa Loa (eye worm) hypothetical protein 0.0014 0.0015 0.0015
Echinococcus multilocularis solute carrier family 22 0.0014 0.0015 0.0015
Echinococcus granulosus peregrin 0.0029 0.0071 0.0071
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.01 0.0515
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0004 0.0004
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0114 0.0114
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.004 0.1098
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0078 0.0078
Loa Loa (eye worm) hypothetical protein 0.0014 0.0015 0.0015
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0055 0.152
Onchocerca volvulus 0.0037 0.01 0.0602
Echinococcus granulosus neuroligin 0.0453 0.1658 0.1658
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.01 0.01
Brugia malayi Major Facilitator Superfamily protein 0.0014 0.0015 0.0015
Schistosoma mansoni inositol monophosphatase 0.0076 0.0245 0.0245
Onchocerca volvulus 0.0037 0.01 0.0602
Mycobacterium tuberculosis Conserved protein 0.0037 0.01 0.0515
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0068 0.0216 0.1221
Mycobacterium ulcerans beta-lactamase 0.0037 0.01 0.0515
Echinococcus multilocularis acetylcholinesterase 0.2682 1 1
Plasmodium vivax importin-beta 2, putative 0.0029 0.0069 0.1919
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0453 0.1658 0.1658
Trypanosoma brucei glucose transporter, putative 0.0031 0.0079 0.2791
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.004 0.004
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.033 0.033
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0032 0.0032
Trypanosoma brucei glucose transporter, putative 0.0031 0.0079 0.2791
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0032 0.071
Loa Loa (eye worm) hypothetical protein 0.0037 0.01 0.01
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.0183 0.0183
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.01 0.01
Mycobacterium ulcerans ion transport protein 0.0075 0.0243 0.1386
Loa Loa (eye worm) hypothetical protein 0.0453 0.1658 0.1658
Onchocerca volvulus 0.0014 0.0015 0.0092
Schistosoma mansoni sugar transporter 0.0014 0.0015 0.0015
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0101 0.0341 0.0341
Brugia malayi beta-lactamase family protein 0.0037 0.01 0.01
Trichomonas vaginalis sugar transporter, putative 0.0031 0.0079 0.0391
Trypanosoma brucei glucose transporter, putative 0.0031 0.0079 0.2791
Trypanosoma brucei THT1 - hexose transporter, putative 0.0031 0.0079 0.2791
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.0014 0.0015 0.0015
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.2682 1 1
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0014 0.0015 0.0015
Brugia malayi hypothetical protein 0.0014 0.0015 0.0015
Schistosoma mansoni hypothetical protein 0.0031 0.0078 0.0078
Loa Loa (eye worm) hypothetical protein 0.0014 0.0015 0.0015
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0032 0.01
Schistosoma mansoni cpg binding protein 0.0028 0.0066 0.0066
Schistosoma mansoni serine/threonine protein kinase 0.005 0.0151 0.0151
Leishmania major GTP-binding protein, putative 0.0021 0.004 0.1098
Loa Loa (eye worm) hypothetical protein 0.0037 0.01 0.01
Echinococcus multilocularis snurportin 1 0.0305 0.1102 0.1102
Loa Loa (eye worm) hypothetical protein 0.0067 0.0214 0.0214
Loa Loa (eye worm) hypothetical protein 0.0014 0.0015 0.0015
Onchocerca volvulus 0.0014 0.0015 0.0092
Schistosoma mansoni inositol monophosphatase 0.0076 0.0245 0.0245
Plasmodium vivax hypothetical protein, conserved 0.0037 0.01 0.2841
Schistosoma mansoni hypothetical protein 0.0029 0.0071 0.0071
Loa Loa (eye worm) hypothetical protein 0.0453 0.1658 0.1658
Echinococcus multilocularis General substrate transporter 0.0087 0.0288 0.0288
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0076 0.0245 0.1402
Echinococcus granulosus acetylcholinesterase 0.2682 1 1
Loa Loa (eye worm) major facilitator superfamily transporter 0.0014 0.0015 0.0015
Echinococcus granulosus inositol monophosphatase 1 0.0076 0.0245 0.0245
Leishmania major glucose transporter, lmgt1 0.0031 0.0079 0.2791
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0151 0.0824
Schistosoma mansoni hypothetical protein 0.0031 0.0078 0.0078
Loa Loa (eye worm) hypothetical protein 0.005 0.015 0.015
Leishmania major glucose transporter, lmgt3 0.0031 0.0079 0.2791
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.01 0.0515
Trypanosoma brucei THT1 - hexose transporter, putative 0.0031 0.0079 0.2791
Trypanosoma cruzi hexose transporter, putative 0.0031 0.0079 0.2791
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.0151 0.5881
Onchocerca volvulus 0.0014 0.0015 0.0092
Brugia malayi hypothetical protein 0.0453 0.1658 0.1658
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.01 0.01
Loa Loa (eye worm) hypothetical protein 0.2682 1 1
Loa Loa (eye worm) major facilitator superfamily transporter 0.0014 0.0015 0.0015
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0182 0.0182
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog 0.0103 0.0348 0.0348
Brugia malayi F/Y-rich N-terminus family protein 0.0018 0.0029 0.0029
Brugia malayi jmjC domain containing protein 0.0096 0.0321 0.0321
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0069 0.2323
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0032 0.01
Echinococcus granulosus solute carrier family 22 0.0014 0.0015 0.0015
Echinococcus multilocularis acetylcholinesterase 0.2682 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0453 0.1658 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0032 0.01
Trichomonas vaginalis inositol monophosphatase, putative 0.0076 0.0245 0.1402
Schistosoma mansoni ran 0.0021 0.004 0.004
Schistosoma mansoni hypothetical protein 0.0305 0.1102 0.1102
Mycobacterium ulcerans hypothetical protein 0.0037 0.01 0.0515
Plasmodium vivax sugar transporter, putative 0.0014 0.0015 0.0331
Echinococcus multilocularis inositol monophosphatase 1 0.0076 0.0245 0.0245
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0182 0.1016
Loa Loa (eye worm) carboxylesterase 0.2682 1 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.01 0.0515
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0076 0.0245 0.7067
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0182 0.1016
Loa Loa (eye worm) sugar transporter 0.0014 0.0015 0.0015

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) Agonist activity at human CB1R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based complementation immunoassay ChEMBL. 25487422
EC50 (functional) > 3000 nM Agonist activity at human CB2R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based complementation immunoassay ChEMBL. 25487422
Ki (binding) Displacement of [3H]WIN-55212-2 from human CB2R expressed in CHO cells ChEMBL. 25487422
Ki (binding) Displacement of [3H]CP55940 from human CB1R expressed in CHO cells ChEMBL. 25487422

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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