Detailed information for compound 1248186

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 578.605 | Formula: C21H21F3N4O6S3
  • H donors: 1 H acceptors: 7 LogP: 3.09 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=S(=O)(c1cc2c(n1S(=O)(=O)c1ccccn1)cccc2)N1CCC2(CC1)C[C@@H]2NS(=O)(=O)C(F)(F)F
  • InChi: 1S/C21H21F3N4O6S3/c22-21(23,24)37(33,34)26-17-14-20(17)8-11-27(12-9-20)36(31,32)19-13-15-5-1-2-6-16(15)28(19)35(29,30)18-7-3-4-10-25-18/h1-7,10,13,17,26H,8-9,11-12,14H2/t17-/m0/s1
  • InChiKey: KMSXGMMRQVOHME-KRWDZBQOSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.0285 0.3466 0.345
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0028 0.0111 0.0007
Echinococcus granulosus citrate lyase subunit beta protein 0.0049 0.0385 0.0918
Entamoeba histolytica hexokinase 2 0.0322 0.3951 0.9761
Brugia malayi TAR-binding protein 0.0066 0.0607 0.1418
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0972 0.2188
Schistosoma mansoni zinc finger protein 0.0022 0.0032 0.008
Schistosoma mansoni hypothetical protein 0.0039 0.0254 0.0644
Schistosoma mansoni hypothetical protein 0.0028 0.0108 0.0273
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0105 0.1114 0.2614
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0236 0.2835 0.6925
Loa Loa (eye worm) hypothetical protein 0.0048 0.037 0.0914
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.1104 0.8749
Brugia malayi CHE-14 protein 0.0041 0.0274 0.0585
Mycobacterium tuberculosis Probable reductase 0.0104 0.1104 0.772
Loa Loa (eye worm) hexokinase type II 0.0322 0.3951 0.9763
Loa Loa (eye worm) hexokinase 0.0202 0.2381 0.5885
Plasmodium falciparum phosphomannomutase, putative 0.0084 0.0833 0.1842
Trichomonas vaginalis CAMK family protein kinase 0.019 0.2229 0.5382
Mycobacterium ulcerans lipoprotein LpqF 0.0062 0.0545 0.1886
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0228 0.2722 1
Plasmodium falciparum hexokinase 0.0322 0.3951 0.9757
Brugia malayi 6-phosphofructokinase 0.0105 0.1114 0.2683
Loa Loa (eye worm) glutathione reductase 0.0046 0.0337 0.0833
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0049 0.0385 0.1289
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.1104 0.772
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0228 0.2722 1
Brugia malayi glutathione reductase 0.0046 0.0337 0.0744
Onchocerca volvulus Hexokinase homolog 0.0202 0.2381 0.5988
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0105 0.1114 0.7797
Echinococcus multilocularis Niemann Pick C1 protein 0.0095 0.0985 0.0963
Leishmania major macrophage migration inhibitory factor-like protein 0.0329 0.4047 0.755
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0337 0.0314
Trichomonas vaginalis CAMK family protein kinase 0.019 0.2229 0.5382
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.1004 0.2541
Trypanosoma brucei phosphomannomutase 0.0084 0.0833 0.099
Echinococcus multilocularis hexokinase 0.0322 0.3951 0.3936
Schistosoma mansoni lysosomal protective protein precursor (cathepsin A) (carboxypeptidase 0.0031 0.0148 0.0374
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0607 0.1537
Echinococcus granulosus serine:threonine protein kinase PLK1 0.019 0.2229 0.5615
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0228 0.2722 0.6889
Trypanosoma brucei hexokinase 0.0322 0.3951 0.7213
Trypanosoma cruzi Putative Phosphatase/Protein of unknown function DUF89, putative 0.0053 0.0428 0.0181
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0028 0.0111 0.0007
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0236 0.2835 0.6923
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0028 0.0111 0.0007
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0108 0.0213
Mycobacterium ulcerans hypothetical protein 0.0049 0.0385 0.1289
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0236 0.2835 0.6925
Loa Loa (eye worm) hypothetical protein 0.005 0.0394 0.0973
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0233 0.0485
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.019 0.2229 0.5508
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0228 0.2722 0.6726
Echinococcus granulosus jumonji domain containing protein 0.0039 0.0252 0.0581
Brugia malayi glucose-6-phosphate dehydrogenase 0.0228 0.2722 0.6694
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0316 0.3875 0.7062
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0194 0.017
Echinococcus multilocularis mannose 6 phosphate isomerase 0.0189 0.2219 0.22
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.021 0.0472
Entamoeba histolytica phosphomannose isomerase, putative 0.0189 0.2219 0.544
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.019 0.2229 0.4126
Brugia malayi Hexokinase family protein 0.0099 0.1042 0.2503
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.0539 0.0516
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.0308 0.0509
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.017 0.0327
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0607 0.1537
Echinococcus granulosus family S10 non peptidase ue S10 family 0.0285 0.3466 0.8766
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.0329 0.4047 1
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.1114 0.2683
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0049 0.0385 0.0652
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.1114 0.255
Echinococcus granulosus lysosomal protective protein 0.0316 0.3875 0.9807
Giardia lamblia Kinase, PLK 0.019 0.2229 0.5385
Echinococcus granulosus zinc finger protein 0.0022 0.0032 0.0019
Giardia lamblia Macrophage migration inhibitory factor 0.0329 0.4047 1
Plasmodium vivax macrophage migration inhibitory factor, putative 0.0329 0.4047 1
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0316 0.3875 0.7062
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0079 0.0774 0.5327
Trichomonas vaginalis CAMK family protein kinase 0.019 0.2229 0.5382
Loa Loa (eye worm) hypothetical protein 0.0041 0.0274 0.0676
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0233 0.0319
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.0308 0.0502
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0316 0.3875 0.7062
Schistosoma mansoni jumonji domain containing protein 0.0073 0.0699 0.1769
Trichomonas vaginalis CAMK family protein kinase 0.019 0.2229 0.5382
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0028 0.0111 0.0007
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0073 0.0699 0.0721
Mycobacterium tuberculosis Conserved protein 0.0049 0.0385 0.2507
Trypanosoma cruzi hypothetical protein, conserved 0.0428 0.5347 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0194 0.0431
Loa Loa (eye worm) hexokinase 0.0322 0.3951 0.9763
Loa Loa (eye worm) hypothetical protein 0.0033 0.017 0.042
Brugia malayi mannose-6-phosphate isomerase, class I family protein 0.0189 0.2219 0.544
Loa Loa (eye worm) hypothetical protein 0.0095 0.0985 0.2433
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0501 0.1237
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0128 0.1418 0.5141
Trichomonas vaginalis mannose-6-phosphate isomerase, putative 0.0189 0.2219 0.5357
Brugia malayi phosphofructokinase 0.0105 0.1114 0.2683
Trypanosoma brucei polo-like protein kinase 0.019 0.2229 0.3776
Brugia malayi phosphomannomutase 2 0.0084 0.0833 0.1982
Loa Loa (eye worm) hypothetical protein 0.0316 0.3875 0.9576
Onchocerca volvulus 0.0202 0.2381 0.5988
Mycobacterium ulcerans hypothetical protein 0.0049 0.0385 0.1289
Echinococcus multilocularis peregrin 0.0034 0.0183 0.0159
Brugia malayi 6-phosphofructokinase 0.0105 0.1114 0.2683
Onchocerca volvulus 0.0322 0.3951 1
Toxoplasma gondii phosphomannose isomerase type I protein 0.0189 0.2219 0.536
Onchocerca volvulus Putative phosphomannomutase 0.0084 0.0833 0.2031
Mycobacterium ulcerans mannose-6-phosphate isomerase ManA 0.0189 0.2219 0.8126
Trypanosoma brucei Putative Phosphatase/Protein of unknown function DUF89, putative 0.0053 0.0428 0.0181
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.021 0.0518
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0105 0.1114 0.1551
Trichomonas vaginalis phosphomannomutase, putative 0.0084 0.0833 0.1836
Loa Loa (eye worm) bromodomain containing protein 0.002 0.0007 0.0018
Schistosoma mansoni hypothetical protein 0.0039 0.0254 0.0644
Brugia malayi Thioredoxin reductase 0.0046 0.0337 0.0744
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.1256 0.8825
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0228 0.2722 0.5054
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0049 0.0385 0.0095
Trypanosoma cruzi hexokinase, putative 0.0322 0.3951 0.7213
Onchocerca volvulus 0.0292 0.3563 0.9009
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.1256 1
Trypanosoma brucei beta lactamase 0.0062 0.0545 0.0415
Schistosoma mansoni hypothetical protein 0.0033 0.017 0.0431
Brugia malayi PHD-finger family protein 0.0028 0.0108 0.0172
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0274 0.0635
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.037 0.0825
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.1104 0.772
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.021 0.0531
Schistosoma mansoni hexokinase 0.0322 0.3951 1
Loa Loa (eye worm) phosphomannomutase 2 0.0084 0.0833 0.2059
Echinococcus granulosus hexokinase 0.0322 0.3951 1
Echinococcus multilocularis zinc finger protein 0.0022 0.0032 0.0007
Leishmania major macrophage migration inhibitory factor-like protein 0.0329 0.4047 0.755
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.037 0.0914
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.014 0.1577 0.3896
Loa Loa (eye worm) hypothetical protein 0.0102 0.1078 0.2664
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.0607 0.1418
Loa Loa (eye worm) hypothetical protein 0.0219 0.2612 0.6454
Loa Loa (eye worm) transcription factor SMAD2 0.024 0.2886 0.7132
Echinococcus granulosus tar DNA binding protein 0.0066 0.0607 0.1485
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0149 0.1687 0.4009
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0236 0.2835 0.6923
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0236 0.2835 0.6925
Echinococcus granulosus mannose 6 phosphate isomerase 0.0189 0.2219 0.559
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0607 0.1537
Trypanosoma cruzi Putative Phosphatase/Protein of unknown function DUF89, putative 0.0053 0.0428 0.0181
Loa Loa (eye worm) TAR-binding protein 0.0066 0.0607 0.1501
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.0308 0.0509
Onchocerca volvulus 0.0322 0.3951 1
Loa Loa (eye worm) RNA binding protein 0.0066 0.0607 0.1501
Leishmania major hypothetical protein, conserved 0.0428 0.5347 1
Trypanosoma cruzi phosphomannomutase, putative 0.0084 0.0833 0.099
Toxoplasma gondii phosphofructokinase PFKII 0.0028 0.0111 0.0007
Toxoplasma gondii phosphomannomutase 0.0084 0.0833 0.1842
Leishmania major hexokinase, putative 0.0322 0.3951 0.737
Echinococcus multilocularis expressed conserved protein 0.0089 0.0909 0.0887
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0337 0.0582
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0274 0.0676
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0337 0.2163
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.1104 0.772
Schistosoma mansoni phosphomannomutase 0.0084 0.0833 0.2109
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0142 0.1603 0.1583
Loa Loa (eye worm) hypothetical protein 0.0068 0.0634 0.1566
Loa Loa (eye worm) hexokinase 0.0322 0.3951 0.9763
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0337 0.0797
Brugia malayi PHD-finger family protein 0.0027 0.0099 0.015
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0108 0.0266
Brugia malayi Serine carboxypeptidase F41C3.5 precursor 0.0316 0.3875 0.9571
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.1256 0.8825
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.0316 0.3875 0.9808
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0062 0.0545 0.3669
Brugia malayi Bromodomain containing protein 0.0034 0.0183 0.0359
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.0252 0.0229
Loa Loa (eye worm) 6-phosphofructokinase 0.0105 0.1114 0.2754
Schistosoma mansoni mannose-6-phosphate isomerase 0.0189 0.2219 0.5617
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0228 0.2722 0.6799
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0049 0.0385 0.0697
Onchocerca volvulus Alhambra homolog 0.0028 0.0108 0.0176
Brugia malayi MH2 domain containing protein 0.024 0.2886 0.7104
Entamoeba histolytica phosphomannomutase, putative 0.0084 0.0833 0.1982
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog 0.0316 0.3875 0.9806
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.1104 0.772
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.1114 0.255
Onchocerca volvulus 0.0322 0.3951 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0323 0.0799
Brugia malayi hexokinase 0.0322 0.3951 0.9761
Echinococcus granulosus peregrin 0.0034 0.0183 0.0404
Schistosoma mansoni patched 1 0.0041 0.0274 0.0692
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0149 0.1687 0.6143
Schistosoma mansoni bromodomain containing protein 0.0065 0.0585 0.148
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.1104 0.772
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0062 0.0545 0.4158
Brugia malayi Bromodomain containing protein 0.004 0.0268 0.0573
Loa Loa (eye worm) hypothetical protein 0.0023 0.0039 0.0096
Plasmodium falciparum mannose-6-phosphate isomerase, putative 0.0189 0.2219 0.536
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0274 0.0635
Loa Loa (eye worm) hypothetical protein 0.0023 0.0039 0.0096
Loa Loa (eye worm) hypothetical protein 0.0102 0.1078 0.2664
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0316 0.3875 0.7062
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0128 0.1418 1
Echinococcus multilocularis lysosomal protective protein 0.0316 0.3875 0.386
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0607 0.1537
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.0308 0.0509
Loa Loa (eye worm) hypothetical protein 0.0043 0.0299 0.074
Echinococcus granulosus hexokinase 0.0322 0.3951 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0136 0.1522 0.3813
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0233 0.0319
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0049 0.0385 0.0095
Plasmodium vivax phosphomannomutase, putative 0.0084 0.0833 0.1842
Toxoplasma gondii thioredoxin reductase 0.0046 0.0337 0.0582
Plasmodium falciparum glutathione reductase 0.0046 0.0337 0.0582
Brugia malayi Niemann-Pick C1 protein precursor 0.0095 0.0985 0.236
Echinococcus granulosus phosphomannomutase 0.0084 0.0833 0.2061
Leishmania major ATP-dependent phosphofructokinase 0.0105 0.1114 0.2026
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0092 0.0947 0.0925
Echinococcus granulosus expressed conserved protein 0.0089 0.0909 0.2254
Trichomonas vaginalis CAMK family protein kinase 0.019 0.2229 0.5382
Echinococcus multilocularis hexokinase type 2 0.0322 0.3951 0.3936
Toxoplasma gondii hexokinase 0.0322 0.3951 0.9757
Schistosoma mansoni hypothetical protein 0.0039 0.0254 0.0644
Echinococcus multilocularis hexokinase 0.0322 0.3951 0.3936
Plasmodium vivax mannose-6-phosphate isomerase, putative 0.0189 0.2219 0.536
Brugia malayi jmjC domain containing protein 0.0092 0.0947 0.2266
Echinococcus multilocularis 6 phosphofructokinase 0.0105 0.1114 0.1093
Echinococcus multilocularis protein patched 0.0041 0.0274 0.025
Plasmodium falciparum macrophage migration inhibitory factor 0.0329 0.4047 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0024 0.0061
Echinococcus granulosus Niemann Pick C1 protein 0.0136 0.1519 0.3808
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0316 0.3875 0.7062
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0972 0.2188
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.0316 0.3875 0.7227
Brugia malayi mannose-6-phosphate isomerase, class I family protein 0.0189 0.2219 0.544
Schistosoma mansoni 6-phosphofructokinase 0.0105 0.1114 0.2821
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0092 0.0947 0.2351
Schistosoma mansoni 6-phosphofructokinase 0.0105 0.1114 0.2821
Mycobacterium ulcerans 6-phosphofructokinase 0.0105 0.1114 0.4009
Leishmania major hypothetical protein, conserved 0.0053 0.0428 0.0732
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.0308 0.0502
Loa Loa (eye worm) macrophage migration inhibitory factor 0.0329 0.4047 1
Mycobacterium tuberculosis Probable mannose-6-phosphate isomerase ManA (phosphomannose isomerase) (phosphomannoisomerase) (PMI) (phosphohexoisomerase) (pho 0.0103 0.1083 0.7573
Treponema pallidum hexokinase (hxk) 0.0322 0.3951 1
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0075 0.0727 0.0778
Schistosoma mansoni hypothetical protein 0.0039 0.0254 0.0644
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.0539 0.1312
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.1114 0.2683
Brugia malayi RNA binding protein 0.0066 0.0607 0.1418
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.014 0.1577 0.3896
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0142 0.1603 0.4057
Loa Loa (eye worm) 6-phosphofructokinase 0.0105 0.1114 0.2754
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.1256 0.8825
Brugia malayi hypothetical protein 0.0292 0.3563 0.8793
Mycobacterium leprae probable mannose-6-phosphate isomerase ManA (PHOSPHOMANNOSE ISOMERASE) (PHOSPHOMANNOISOMERASE) (PMI) (PHOSPHOHEXOISOMERASE) (PHO 0.0103 0.1083 0.8582
Leishmania major trypanothione reductase 0.0046 0.0337 0.0562
Brugia malayi Bm-MIF-1, identical 0.0329 0.4047 1
Trypanosoma brucei hexokinase, putative 0.0322 0.3951 0.7213
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0337 0.0833
Trypanosoma brucei hypothetical protein, conserved 0.0428 0.5347 1
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0105 0.1114 0.8836
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0274 0.025
Schistosoma mansoni kinase 0.0097 0.1004 0.2542
Trypanosoma cruzi phosphomannose isomerase, putative 0.0189 0.2219 0.3756
Plasmodium vivax glutathione reductase, putative 0.0046 0.0337 0.0582
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0607 0.1537
Echinococcus multilocularis Niemann Pick C1 protein 0.0136 0.1519 0.1499
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0095 0.0985 0.236
Echinococcus granulosus 6 phosphofructokinase 0.0105 0.1114 0.2776
Loa Loa (eye worm) acetyltransferase 0.0142 0.1603 0.3961
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0028 0.0111 0.0179
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0308 0.0723
Loa Loa (eye worm) hexokinase 0.0099 0.1042 0.2575
Echinococcus granulosus hexokinase 0.0322 0.3951 1
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.1114 0.255
Loa Loa (eye worm) hypothetical protein 0.0292 0.3563 0.8805
Schistosoma mansoni serine/threonine protein kinase 0.019 0.2229 0.5642
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0316 0.3875 0.7062
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.0607 0.1501
Trypanosoma cruzi phosphomannose isomerase, putative 0.0189 0.2219 0.3756
Trichomonas vaginalis CAMK family protein kinase 0.019 0.2229 0.5382
Echinococcus multilocularis protein dispatched 1 0.0047 0.0349 0.0326
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0228 0.2722 0.2704
Trichomonas vaginalis CAMK family protein kinase 0.019 0.2229 0.5382
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.0329 0.4047 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.019 0.2229 0.5599
Plasmodium vivax 6-phosphofructokinase, putative 0.0028 0.0111 0.0007
Brugia malayi serine/threonine-protein kinase plk-2 0.019 0.2229 0.5465
Entamoeba histolytica mannose-6-phosphate isomerase, putative 0.0087 0.0874 0.2085
Plasmodium vivax 6-phosphofructokinase, putative 0.0028 0.0111 0.0007
Plasmodium falciparum thioredoxin reductase 0.0046 0.0337 0.0582
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.019 0.2229 0.221
Plasmodium vivax hexokinase, putative 0.0322 0.3951 0.9757
Trypanosoma cruzi hypothetical protein, conserved 0.0428 0.5347 1
Loa Loa (eye worm) MH2 domain-containing protein 0.024 0.2886 0.7132
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0049 0.0385 0.1289
Loa Loa (eye worm) hypothetical protein 0.0048 0.0371 0.0918
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.0316 0.3875 0.9808
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0228 0.2722 0.4759
Echinococcus multilocularis tar DNA binding protein 0.0066 0.0607 0.0585
Loa Loa (eye worm) mannose-6-phosphate isomerase 0.0189 0.2219 0.5483
Echinococcus granulosus Niemann Pick C1 protein 0.0095 0.0985 0.2446
Entamoeba histolytica serine/threonine protein kinase, putative 0.019 0.2229 0.5465
Brugia malayi acetyltransferase, GNAT family protein 0.0142 0.1603 0.3902
Leishmania major hexokinase, putative 0.0322 0.3951 0.737
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.0329 0.4047 1
Echinococcus multilocularis hexokinase 0.0322 0.3951 0.3936
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0236 0.2835 0.6923
Brugia malayi Hexokinase family protein 0.0322 0.3951 0.9761
Echinococcus multilocularis citrate lyase subunit beta protein 0.0049 0.0385 0.0361
Loa Loa (eye worm) phosphofructokinase 0.0105 0.1114 0.2754
Trypanosoma cruzi polo-like protein kinase, putative 0.019 0.2229 0.3776
Trichomonas vaginalis conserved hypothetical protein 0.0329 0.4047 1
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0049 0.0385 0.1289
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.021 0.0531
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.1114 0.2683
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0266
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0316 0.3875 0.7062
Brugia malayi Bromodomain containing protein 0.0076 0.0733 0.1732
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0274 0.0414
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0236 0.2835 0.6925
Trypanosoma brucei phosphomannose isomerase 0.0189 0.2219 0.3756
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0105 0.1114 0.1551
Toxoplasma gondii 6-phosphofructokinase 0.0028 0.0111 0.0007
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0049 0.0385 0.2507
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0185 0.0162
Leishmania major phosphomannose isomerase 0.0189 0.2219 0.4107
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.1114 0.255
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.037 0.0825
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0228 0.2722 0.687
Brugia malayi Hexokinase family protein 0.0202 0.2381 0.5845
Loa Loa (eye worm) hypothetical protein 0.0037 0.0224 0.0555
Brugia malayi hexokinase type II 0.0102 0.1078 0.2593
Loa Loa (eye worm) mannose-6-phosphate isomerase 0.0189 0.2219 0.5483
Entamoeba histolytica hexokinase 1 0.0322 0.3951 0.9761
Echinococcus granulosus hexokinase type 2 0.0322 0.3951 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0039 0.0096
Brugia malayi jmjC domain containing protein 0.0036 0.021 0.0426
Trypanosoma brucei hexokinase 0.0322 0.3951 0.7213
Echinococcus multilocularis phosphomannomutase 0.0084 0.0833 0.0811
Trypanosoma cruzi polo-like protein kinase, putative 0.019 0.2229 0.3776
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0108 0.0084
Trypanosoma cruzi hexokinase, putative 0.0322 0.3951 0.7213
Leishmania major phosphomannomutase, putative 0.0084 0.0833 0.1497
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0228 0.2722 0.4759
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0108 0.0273

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.4 nM Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor ChEMBL. 20850969

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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