Detailed information for compound 84847

Basic information

Technical information
  • TDR Targets ID: 84847
  • Name: 6-chloro-N-(2-dimethylaminoethyl)acridine-4-c arboxamide
  • MW: 327.808 | Formula: C18H18ClN3O
  • H donors: 1 H acceptors: 2 LogP: 3.47 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCNC(=O)c1cccc2c1nc1cc(Cl)ccc1c2)C
  • InChi: 1S/C18H18ClN3O/c1-22(2)9-8-20-18(23)15-5-3-4-13-10-12-6-7-14(19)11-16(12)21-17(13)15/h3-7,10-11H,8-9H2,1-2H3,(H,20,23)
  • InChiKey: VGQIWSPAWDRGQW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-chloro-N-(2-dimethylaminoethyl)-4-acridinecarboxamide
  • 106626-77-1
  • 4-Acridinecarboxamide, 6-chloro-N-(2-(dimethylamino)ethyl)-
  • 6-Chloro-N-(2-(dimethylamino)ethyl)-4-acridinecarboxamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii transporter, major facilitator family protein 0.0045 0.0037 0.0051
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0072 0.0212 0.0882
Onchocerca volvulus 0.0045 0.0037 0.0414
Toxoplasma gondii ABC1 family protein 0.0043 0.0025 0.0031
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.0445 1
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0037 0.0063
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0277 0.1571 0.4771
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0072 0.0212 0.4744
Entamoeba histolytica protein kinase, putative 0.0099 0.0392 0.8701
Loa Loa (eye worm) hypothetical protein 0.0045 0.0037 0.0199
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0107 0.0445 0.5
Plasmodium vivax CDK-related protein kinase 6, putative 0.1361 0.8746 1
Trichomonas vaginalis sugar transport protein, putative 0.0045 0.0037 0.0063
Schistosoma mansoni serine/threonine protein kinase 0.0099 0.0392 0.0384
Brugia malayi 6-phosphofructokinase 0.0107 0.0445 0.2312
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0976 0.6197 0.6194
Toxoplasma gondii facilitative glucose transporter GT1 0.0321 0.186 0.3234
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0072 0.0212 0.0957
Trypanosoma cruzi hexose transporter, putative 0.0045 0.0037 0.0137
Schistosoma mansoni glucose transport protein 0.0321 0.186 0.1854
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.0355 0.0348
Giardia lamblia Prolyl-tRNA synthetase 0.0096 0.0375 1
Echinococcus granulosus solute carrier family 22 0.0045 0.0037 0.0029
Chlamydia trachomatis lysine--tRNA ligase 0.0072 0.0212 1
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0537 0.329 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.0375 0.2017
Leishmania major glucose transporter, lmgt3 0.0099 0.0397 0.182
Trypanosoma cruzi hexose transporter, putative 0.0099 0.0397 0.182
Trichomonas vaginalis CMGC family protein kinase 0.0059 0.0131 0.0576
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0025 0.005
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0041 0.0008 0.0129
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0037 0.0063
Schistosoma mansoni glucose transport protein 0.0321 0.186 0.1854
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0059 0.0131 0.0577
Mycobacterium tuberculosis Conserved protein 0.0043 0.0025 0.0071
Plasmodium falciparum calcium-dependent protein kinase 2 0.0099 0.0392 0.044
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0044 0.0033 0.004
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0025 0.0071
Onchocerca volvulus 0.0052 0.0086 0.1107
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0025 0.0071
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0025 0.0018
Schistosoma mansoni serine/threonine protein kinase 0.0059 0.0131 0.0123
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.0355 0.0348
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0025 0.0071
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0355 0.0348
Leishmania major hypothetical protein, conserved 0.0043 0.0025 0.0083
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.0033 0.0118
Plasmodium falciparum calcium-dependent protein kinase 4 0.0099 0.0392 0.044
Schistosoma mansoni glucose transport protein 0.0321 0.186 0.1854
Mycobacterium ulcerans integral membrane transport protein 0.0045 0.0037 0.0082
Echinococcus multilocularis solute carrier family 22 0.0045 0.0037 0.0029
Leishmania major glucose transporter, lmgt2 0.0099 0.0397 0.182
Trichomonas vaginalis conserved hypothetical protein 0.0099 0.0397 0.2023
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0044 0.0033 0.0071
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0321 0.186 0.1854
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0112 0.0481 0.2214
Trichomonas vaginalis sugar transporter, putative 0.0099 0.0397 0.2023
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0321 0.186 0.1854
Brugia malayi Sugar transporter family protein 0.0045 0.0037 0.0155
Onchocerca volvulus Putative transporter 0.0045 0.0037 0.0414
Echinococcus granulosus inositol monophosphatase 1 0.0044 0.0033 0.0025
Echinococcus granulosus tumor protein p63 0.0358 0.2111 0.2105
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0096 0.0375 0.1906
Onchocerca volvulus 0.0045 0.0037 0.0414
Onchocerca volvulus 0.0045 0.0037 0.0414
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Loa Loa (eye worm) 6-phosphofructokinase 0.0107 0.0445 0.2393
Loa Loa (eye worm) hypothetical protein 0.0052 0.0086 0.0462
Onchocerca volvulus 0.0045 0.0037 0.0414
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0099 0.0392 0.1728
Echinococcus granulosus calcium dependent protein kinase 0.0092 0.0348 0.0341
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0107 0.0445 0.1347
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0025 0.0083
Plasmodium falciparum protein kinase 6 0.1361 0.8746 1
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Onchocerca volvulus Huntingtin homolog 0.0147 0.0714 1
Leishmania major ATP-dependent phosphofructokinase 0.0107 0.0445 0.2047
Echinococcus granulosus General substrate transporter 0.0275 0.1562 0.1555
Echinococcus granulosus mitogen activated protein kinase 0.0059 0.0131 0.0123
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0025 0.0018
Loa Loa (eye worm) hypothetical protein 0.0045 0.0037 0.0199
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0025 0.0071
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0112 0.0481 0.2214
Leishmania major hypothetical protein, conserved 0.0045 0.0037 0.0137
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0099 0.0392 0.0671
Loa Loa (eye worm) phosphofructokinase 0.0107 0.0445 0.2393
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0045 0.0037 1
Brugia malayi major facilitator superfamily protein 0.0045 0.0037 0.0155
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0107 0.0445 0.1981
Toxoplasma gondii sugar transporter ST2 0.0045 0.0037 0.0051
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.0355 0.0348
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0363 0.2144 1
Toxoplasma gondii sugar transporter ST3 0.0045 0.0037 0.0051
Brugia malayi hypothetical protein 0.0045 0.0037 0.0155
Entamoeba histolytica hypothetical protein 0.0072 0.0212 0.4351
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0059 0.0131 0.0705
Schistosoma mansoni glucose transporter 0.0045 0.0037 0.0029
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0096 0.0375 0.8422
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0096 0.0375 0.1942
Echinococcus multilocularis mitogen activated protein kinase 0.0059 0.0131 0.0123
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0044 0.0033 0.0044
Trichomonas vaginalis myo-inositol transporter, putative 0.0045 0.0037 0.0063
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.0033 0.0035
Loa Loa (eye worm) hypothetical protein 0.0045 0.0037 0.0199
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0025 0.0528
Trichomonas vaginalis glucose transporter, putative 0.0099 0.0397 0.2023
Plasmodium falciparum protein kinase 7 0.0906 0.5736 0.6555
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0077 0.0324
Brugia malayi Inositol-1 0.0044 0.0033 0.0133
Trichomonas vaginalis CMGC family protein kinase 0.0059 0.0131 0.0576
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0045 0.0037 0.0082
Loa Loa (eye worm) hypothetical protein 0.0045 0.0037 0.0199
Loa Loa (eye worm) hypothetical protein 0.0045 0.0037 0.0199
Echinococcus multilocularis inositol monophosphatase 1 0.0044 0.0033 0.0025
Echinococcus multilocularis solute carrier family 22 0.0045 0.0037 0.0029
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0518 0.317 0.5521
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Onchocerca volvulus 0.0043 0.0025 0.0251
Leishmania major glucose transporter/membrane transporter D2, putative 0.0099 0.0397 0.182
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0099 0.0392 0.0671
Brugia malayi beta-lactamase family protein 0.0043 0.0025 0.0094
Brugia malayi lysyl-tRNA synthetase 0.0072 0.0212 0.1081
Schistosoma mansoni microtubule-associated protein tau 0.155 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0321 0.186 1
Trichomonas vaginalis CMGC family protein kinase 0.0059 0.0131 0.0576
Mycobacterium ulcerans beta-lactamase 0.0043 0.0025 0.005
Trypanosoma cruzi hexose transporter, putative 0.0054 0.0098 0.0424
Onchocerca volvulus 0.0045 0.0037 0.0414
Loa Loa (eye worm) hypothetical protein 0.0041 0.0008 0.0042
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0518 0.317 0.3619
Onchocerca volvulus 0.0045 0.0037 0.0414
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0059 0.0131 0.0577
Loa Loa (eye worm) hypothetical protein 0.0043 0.0025 0.0137
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0112 0.0481 0.0826
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0321 0.186 0.1854
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0099 0.0392 0.0384
Trypanosoma brucei glucose transporter, putative 0.0099 0.0397 0.1752
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Loa Loa (eye worm) hypothetical protein 0.0043 0.0025 0.0137
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.0077 0.0243
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0061 0.0141 0.0422
Loa Loa (eye worm) hypothetical protein 0.0078 0.0256 0.1375
Loa Loa (eye worm) hypothetical protein 0.0041 0.0008 0.0042
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.0445 0.2287
Trypanosoma brucei glucose transporter, putative 0.0099 0.0397 0.1752
Mycobacterium leprae Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0061 0.0141 0.3133
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Mycobacterium ulcerans hypothetical protein 0.0043 0.0025 0.005
Trichomonas vaginalis glucose transporter, putative 0.0099 0.0397 0.2023
Plasmodium falciparum proline--tRNA ligase 0.0112 0.0481 0.0541
Schistosoma mansoni lysyl-tRNA synthetase 0.0072 0.0212 0.0205
Loa Loa (eye worm) hypothetical protein 0.0147 0.0714 0.3841
Echinococcus multilocularis calcium dependent protein kinase 0.0092 0.0348 0.0341
Onchocerca volvulus Huntingtin homolog 0.0147 0.0714 1
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Trichomonas vaginalis glucose transporter, putative 0.0045 0.0037 0.0063
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.0033 0.0118
Brugia malayi Cam kinase protein 1 0.0099 0.0392 0.2029
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0025 0.0094
Trypanosoma cruzi hexose transporter, putative 0.0099 0.0397 0.182
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0061 0.0141 0.0422
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Loa Loa (eye worm) hypothetical protein 0.0045 0.0037 0.0199
Echinococcus granulosus solute carrier family 22 0.0045 0.0037 0.0029
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.0033 0.0118
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.0151 0.067
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0099 0.0392 0.0384
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0059 0.0131 0.0499
Loa Loa (eye worm) sugar transporter 0.0321 0.186 1
Trypanosoma brucei myo-inositol/proton symporter (MIT) 0.0045 0.0037 0.0054
Loa Loa (eye worm) hypothetical protein 0.0045 0.0037 0.0199
Loa Loa (eye worm) hypothetical protein 0.0045 0.0037 0.0199
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.0355 0.1837
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0072 0.0212 0.1018
Schistosoma mansoni 6-phosphofructokinase 0.0107 0.0445 0.0438
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0099 0.0392 0.0384
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0321 0.186 0.1854
Loa Loa (eye worm) hypothetical protein 0.0041 0.0008 0.0042
Schistosoma mansoni protein kinase 0.0099 0.0392 0.0384
Echinococcus multilocularis mitogen activated protein kinase 3 0.0059 0.0131 0.0123
Brugia malayi beta-lactamase family protein 0.0043 0.0025 0.0094
Leishmania major lysyl-tRNA synthetase, putative 0.0072 0.0212 0.0957
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0037 0.0063
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0099 0.0392 0.0671
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0099 0.0392 0.0384
Trypanosoma brucei glucose transporter, putative 0.0099 0.0397 0.1752
Plasmodium vivax calcium-dependent protein kinase, putative 0.0099 0.0392 0.044
Onchocerca volvulus 0.0043 0.0025 0.0251
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0112 0.0481 0.2214
Loa Loa (eye worm) hypothetical protein 0.0043 0.0025 0.0137
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0096 0.0375 0.0368
Brugia malayi beta-lactamase 0.0043 0.0025 0.0094
Onchocerca volvulus 0.0045 0.0037 0.0414
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0099 0.0392 0.0384
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0363 0.2144 1
Trypanosoma cruzi hexose transporter, putative 0.0099 0.0397 0.182
Onchocerca volvulus 0.0045 0.0037 0.0414
Loa Loa (eye worm) hypothetical protein 0.0069 0.0195 0.1051
Echinococcus granulosus 6 phosphofructokinase 0.0107 0.0445 0.0438
Mycobacterium ulcerans lipase LipD 0.0043 0.0025 0.005
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0096 0.0375 0.0368
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0059 0.0131 0.0215
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0025 0.0071
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.0445 0.2287
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0037 0.0063
Loa Loa (eye worm) hypothetical protein 0.0099 0.0392 0.2105
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0096 0.0375 0.0368
Onchocerca volvulus 0.0045 0.0037 0.0414
Loa Loa (eye worm) hypothetical protein 0.0045 0.0037 0.0199
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0107 0.0445 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0363 0.2144 1
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.0445 0.2287
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0045 0.0037 0.0029
Mycobacterium tuberculosis Conserved hypothetical protein 0.0041 0.0008 0.0017
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Trypanosoma brucei protein kinase, putative 0.0059 0.0131 0.0499
Giardia lamblia Kinase, CMGC MAPK 0.0059 0.0131 0.2783
Plasmodium vivax proline--tRNA ligase, putative 0.0112 0.0481 0.0541
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0172 0.0877 0.402
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Echinococcus multilocularis microtubule associated protein 2 0.155 1 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0577 0.3559 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0172 0.0877 0.4069
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0045 0.0037 0.0029
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Schistosoma mansoni sugar transporter 0.0045 0.0037 0.0029
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0063 0.0154 0.07
Plasmodium falciparum hexose transporter 0.0321 0.186 0.212
Onchocerca volvulus 0.0045 0.0037 0.0414
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.0445 0.2287
Echinococcus multilocularis General substrate transporter 0.0275 0.1562 0.1555
Toxoplasma gondii sugar transporter ST1 0.0045 0.0037 0.0051
Brugia malayi Amyloid A4 extracellular domain containing protein 0.0326 0.1899 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0577 0.3559 1
Mycobacterium tuberculosis Probable conserved integral membrane transport protein 0.0045 0.0037 0.0106
Echinococcus granulosus Sugar transporter ERD6 protein 0.0045 0.0037 0.0029
Schistosoma mansoni lysyl-tRNA synthetase 0.0072 0.0212 0.0205
Onchocerca volvulus 0.0045 0.0037 0.0414
Loa Loa (eye worm) hypothetical protein 0.0045 0.0037 0.0199
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0099 0.0392 0.2029
Brugia malayi Sugar transporter family protein 0.0321 0.186 0.9793
Schistosoma mansoni inositol monophosphatase 0.0044 0.0033 0.0025
Onchocerca volvulus 0.0045 0.0037 0.0414
Loa Loa (eye worm) hypothetical protein 0.0043 0.0025 0.0137
Plasmodium falciparum calcium-dependent protein kinase 1 0.0099 0.0392 0.044
Plasmodium falciparum mitogen-activated protein kinase 2 0.0518 0.317 0.3619
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.0445 1
Mycobacterium leprae Probable lipase LipE 0.0043 0.0025 0.0528
Echinococcus granulosus solute carrier family 22 0.0045 0.0037 0.0029
Brugia malayi phosphofructokinase 0.0107 0.0445 0.2312
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0321 0.186 0.1854
Loa Loa (eye worm) inositol-1 0.0044 0.0033 0.0177
Loa Loa (eye worm) hypothetical protein 0.0041 0.0008 0.0042
Plasmodium falciparum calcium-dependent protein kinase 5 0.0099 0.0392 0.044
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Schistosoma mansoni protein kinase 0.0099 0.0392 0.0384
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0025 0.002
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0321 0.186 0.1854
Echinococcus granulosus mitogen activated protein kinase 3 0.0059 0.0131 0.0123
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Trypanosoma cruzi glucose transporter, putative 0.0045 0.0037 0.0137
Plasmodium falciparum lysine--tRNA ligase 0.0072 0.0212 0.0234
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0044 0.0033 0.004
Trichomonas vaginalis sugar transporter, putative 0.0099 0.0397 0.2023
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.0445 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0321 0.186 0.1854
Trypanosoma brucei THT1 - hexose transporter, putative 0.0099 0.0397 0.1752
Echinococcus multilocularis 6 phosphofructokinase 0.0107 0.0445 0.0438
Trypanosoma brucei glucose transporter, putative 0.0099 0.0397 0.1752
Schistosoma mansoni sugar transporter 0.0045 0.0037 0.0029
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0025 0.0018
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0099 0.0392 0.044
Trypanosoma brucei THT1 - hexose transporter, putative 0.0099 0.0397 0.1752
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0099 0.0392 0.044
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Plasmodium falciparum calcium-dependent protein kinase 3 0.0099 0.0392 0.044
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Toxoplasma gondii protein kinase, putative 0.0906 0.5736 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0172 0.0877 0.4069
Mycobacterium tuberculosis Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter) 0.0045 0.0037 0.0106
Echinococcus granulosus lysyl tRNA synthetase 0.0072 0.0212 0.0205
Loa Loa (eye worm) hypothetical protein 0.0045 0.0037 0.0199
Loa Loa (eye worm) hypothetical protein 0.0041 0.0008 0.0042
Loa Loa (eye worm) hypothetical protein 0.0045 0.0037 0.0199
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0099 0.0392 0.0384
Trypanosoma brucei glucose transporter, putative 0.0099 0.0397 0.1752
Loa Loa (eye worm) major facilitator superfamily transporter 0.0045 0.0037 0.0199
Onchocerca volvulus 0.0043 0.0025 0.0251
Loa Loa (eye worm) hypothetical protein 0.0045 0.0037 0.0199
Toxoplasma gondii lysine-tRNA ligase 0.0072 0.0212 0.0357
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0037 0.0063
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0025 0.0071
Plasmodium vivax sugar transporter, putative 0.0045 0.0037 0.0033
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Brugia malayi major facilitator superfamily protein 0.0045 0.0037 0.0155
Plasmodium vivax hexose transporter 0.0321 0.186 0.212
Brugia malayi Major Facilitator Superfamily protein 0.0045 0.0037 0.0155
Echinococcus multilocularis tumor protein p63 0.0358 0.2111 0.2105
Brugia malayi hypothetical protein 0.0147 0.0714 0.3736
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0096 0.0375 0.1942
Trypanosoma cruzi hexose transporter 0.0099 0.0397 0.182
Echinococcus granulosus solute carrier family 22 0.0045 0.0037 0.0029
Schistosoma mansoni inositol monophosphatase 0.0044 0.0033 0.0025
Schistosoma mansoni hypothetical protein 0.0321 0.186 0.1854
Mycobacterium tuberculosis Conserved hypothetical protein 0.0191 0.1006 0.3052
Brugia malayi Sugar transporter family protein 0.0045 0.0037 0.0155
Trypanosoma brucei glucose transporter, putative 0.0099 0.0397 0.1752
Schistosoma mansoni alzheimer's disease beta-amyloid related 0.0119 0.0527 0.0519
Echinococcus multilocularis lysyl tRNA synthetase 0.0072 0.0212 0.0205
Loa Loa (eye worm) hypothetical protein 0.0147 0.0714 0.3841
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0059 0.0131 0.0577
Loa Loa (eye worm) hypothetical protein 0.0096 0.0375 0.2017
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0099 0.0392 0.0384
Schistosoma mansoni 6-phosphofructokinase 0.0107 0.0445 0.0438
Onchocerca volvulus 0.0045 0.0037 0.0414
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0355 0.0348
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.0355 0.0348
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Echinococcus multilocularis solute carrier family 22 0.0045 0.0037 0.0029
Loa Loa (eye worm) sugar transporter 0.0045 0.0037 0.0199
Giardia lamblia Lysyl-tRNA synthetase 0.0072 0.0212 0.5182
Trypanosoma cruzi sugar transporter, putative 0.0045 0.0037 0.0137
Leishmania major glucose transporter, lmgt1 0.0099 0.0397 0.182
Loa Loa (eye worm) hypothetical protein 0.0138 0.0654 0.3513
Plasmodium falciparum major facilitator superfamily domain-containing protein, putative 0.0045 0.0037 0.0033
Mycobacterium ulcerans sugar transporter 0.0045 0.0037 0.0082
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0112 0.0481 0.2148
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0072 0.0212 0.0576
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0059 0.0131 0.0577
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Onchocerca volvulus 0.0045 0.0037 0.0414
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0025 0.0083
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0086 0.0078
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0321 0.186 0.1854
Echinococcus multilocularis solute carrier family 22 0.0045 0.0037 0.0029
Leishmania major protein kinase, putative 0.0099 0.0392 0.1796
Schistosoma mansoni sugar transporter 0.0045 0.0037 0.0029
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0025 0.0071
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Brugia malayi hypothetical protein 0.0045 0.0037 0.0155
Trypanosoma brucei THT1 - hexose transporter, putative 0.0099 0.0397 0.1752
Onchocerca volvulus 0.0045 0.0037 0.0414
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0099 0.0392 0.2105
Loa Loa (eye worm) 6-phosphofructokinase 0.0107 0.0445 0.2393
Brugia malayi MAP kinase sur-1 0.0059 0.0131 0.0652
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0112 0.0481 0.2214
Trichomonas vaginalis sugar transporter, putative 0.0099 0.0397 0.2023
Loa Loa (eye worm) hypothetical protein 0.0257 0.1441 0.7748
Plasmodium vivax lysine--tRNA ligase, putative 0.0072 0.0212 0.0234
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0059 0.0131 0.0577
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Loa Loa (eye worm) hypothetical protein 0.0045 0.0037 0.0199
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0025 0.005
Onchocerca volvulus 0.0045 0.0037 0.0414
Trypanosoma brucei sugar transporter, putative 0.0045 0.0037 0.0054
Leishmania major mitochondrial DNA polymerase beta 0.0363 0.2144 1
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0107 0.0445 0.2047
Mycobacterium ulcerans 6-phosphofructokinase 0.0107 0.0445 0.1231
Loa Loa (eye worm) major facilitator superfamily transporter 0.0045 0.0037 0.0199
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.0355 0.191
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0025 0.0137
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Brugia malayi hypothetical protein 0.0045 0.0037 0.0155
Trypanosoma brucei glucose transporter, putative 0.0099 0.0397 0.1752
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0096 0.0375 0.0368
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.0392 0.1995
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0077 0.0324
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0059 0.0131 0.0577
Loa Loa (eye worm) hypothetical protein 0.0041 0.0008 0.0042
Loa Loa (eye worm) hypothetical protein 0.0072 0.0212 0.1141
Trichomonas vaginalis CMGC family protein kinase 0.0059 0.0131 0.0576
Loa Loa (eye worm) hypothetical protein 0.0043 0.0025 0.0137
Toxoplasma gondii hypothetical protein 0.0059 0.0127 0.0208
Echinococcus multilocularis synaptic vesicle 2 protein 0.0045 0.0037 0.0029
Mycobacterium tuberculosis Possible oxidoreductase 0.0041 0.0008 0.0017
Trypanosoma brucei glucose transporter 1E 0.0099 0.0397 0.1752
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Brugia malayi Major Facilitator Superfamily protein 0.0045 0.0037 0.0155
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0096 0.0375 0.8304
Leishmania major myo-inositol/proton symporter (MIT) 0.0045 0.0037 0.0137
Brugia malayi 6-phosphofructokinase 0.0107 0.0445 0.2312
Loa Loa (eye worm) beta-lactamase 0.0043 0.0025 0.0137
Mycobacterium ulcerans hypothetical protein 0.0191 0.1006 0.281
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0355 0.0348
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0045 0.0037 0.0082
Brugia malayi Major Facilitator Superfamily protein 0.0045 0.0037 0.0155
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0099 0.0392 0.0384
Schistosoma mansoni sugar transporter 0.0045 0.0037 0.0029
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0099 0.0392 0.044
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0077 0.0324
Loa Loa (eye worm) hypothetical protein 0.0045 0.0037 0.0199
Echinococcus granulosus synaptic vesicle 2 protein 0.0045 0.0037 0.0029
Loa Loa (eye worm) hypothetical protein 0.0043 0.0025 0.0137
Trichomonas vaginalis conserved hypothetical protein 0.0099 0.0397 0.2023
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0099 0.0392 0.2105
Trichomonas vaginalis inositol monophosphatase, putative 0.0044 0.0033 0.004
Mycobacterium tuberculosis Conserved protein 0.0043 0.0025 0.0071
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0072 0.0212 0.0576
Trypanosoma brucei glucose transporter 2A 0.0099 0.0397 0.1752
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0025 0.0018
Trichomonas vaginalis sugar transporter, putative 0.0045 0.0037 0.0063
Trypanosoma brucei glucose transporter, putative 0.0099 0.0397 0.1752
Entamoeba histolytica protein kinase, putative 0.0099 0.0392 0.8701
Schistosoma mansoni protein kinase 0.0099 0.0392 0.0384
Mycobacterium tuberculosis Conserved protein 0.0043 0.0025 0.0071

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 6.4 nM Inhibition murine leukemia L1210 cell growth in culture ChEMBL. 3560161
IC50 (functional) = 125 nM Inhibitory concentration required to reduce murine p388 leukemia cell number to 50% of control cultures ChEMBL. 9191970
IC50 (functional) = 125 nM Inhibitory concentration required to reduce murine p388 leukemia cell number to 50% of control cultures ChEMBL. 9191970
IC50 (functional) = 156 nM Inhibitory concentration required to reduce Lewis lung carcinoma cell number to 50% of control cultures ChEMBL. 9191970
IC50 (functional) = 350 nM Inhibition of human colon tumor (HCT-8) cell growth in culture ChEMBL. 3560161
IC50 (functional) = 397 nM Inhibitory concentration required to reduce human Jurkat leukemia (JLC sensitive, wild type) cell number to 50% of control cultures ChEMBL. 9191970
IC50 (functional) = 397 nM Inhibitory concentration required to reduce human Jurkat leukemia (JLC sensitive, wild type) cell number to 50% of control cultures ChEMBL. 9191970
ILS (functional) = 29 % Percentage increase in life span of tumor bearing animals compared to non treated, tumor-bearing controls when treated at the optimal dose of 65 mg/kg/day intraperitoneally ChEMBL. 3560161
ILS (functional) = 91 % Percentage increase in life span of tumor bearing animals compared to non treated, tumor-bearing controls when treated at the optimal dose of 65 mg/kg/day intraperitoneally ChEMBL. 3560161
Log K (binding) = 6.73 Binding constant to poly(dA-dT)DNA by ethidium bromide displacement ChEMBL. 3560161
Log K (binding) = 7 Binding constant to poly(dG-dC)DNA by ethidium bromide displacement ChEMBL. 3560161
pKa 0 Base strength of the compound is expressed as pKa, determined in water at 25 degrees centigrade by spectrophotometric method;ND denotes no data ChEMBL. 3560161
Ratio (functional) = 1.1 Ratio of IC50 of Jurkat leukemia amsacrine (JLA) to the IC50 of Jurkat leukemia (JLC sensitive, wild type) ChEMBL. 9191970
Ratio (functional) = 1.3 Ratio of IC50 of mutant Jurkat leukemia (JLD) to the IC50 of Jurkat leukemia (JLC sensitive, wild type) ChEMBL. 9191970
Ratio (functional) = 54 Selectivity ratio of IC50 of HCT to IC50 of L1210 cell lines ChEMBL. 3560161
Rm = -0.06 Lipophilicity index (Rm) (HPLC) ChEMBL. 3560161

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 9191970
Homo sapiens ChEMBL23 9191970

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

2 literature references were collected for this gene.

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