Detailed information for compound 1022254

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 481.317 | Formula: C23H18BrFN4O2
  • H donors: 1 H acceptors: 2 LogP: 4.88 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(N)nc(cc1c1cc(Br)c(c(c1)OC)OC)c1cn(c2c1cc(F)cc2)C
  • InChi: 1S/C23H18BrFN4O2/c1-29-11-17(15-8-13(25)4-5-20(15)29)19-9-14(16(10-26)23(27)28-19)12-6-18(24)22(31-3)21(7-12)30-2/h4-9,11H,1-3H3,(H2,27,28)
  • InChiKey: ZERZPBFMMGGTFE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

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

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0025 0.0292 0.076
Loa Loa (eye worm) hypothetical protein 0.0073 0.1251 0.5456
Toxoplasma gondii sugar transporter ST2 0.0017 0.0144 0.0014
Loa Loa (eye worm) hypothetical protein 0.0017 0.0144 0.0199
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0037 0.0542 0.1961
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0025 0.0292 0.076
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0037 0.0542 0.063
Onchocerca volvulus 0.0073 0.1251 1
Trypanosoma brucei pyruvate kinase 1 0.0033 0.0447 0.2739
Loa Loa (eye worm) hypothetical protein 0.0033 0.0447 0.1639
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0685 0.2653
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0023 0.0261 0.0132
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0685 0.2653
Loa Loa (eye worm) hypothetical protein 0.0017 0.0144 0.0199
Echinococcus multilocularis calcium dependent protein kinase 0.0035 0.0496 0.1742
Loa Loa (eye worm) hypothetical protein 0.0027 0.0342 0.1141
Plasmodium falciparum calcium-dependent protein kinase 5 0.0037 0.0542 0.0412
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0037 0.0542 0.1961
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0447 0.1639
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0027 0.0342 0.207
Entamoeba histolytica protein kinase, putative 0.0037 0.0542 1
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.1251 1
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.1251 1
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0122 0.2208 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0144 0.0199
Trypanosoma brucei THT1 - hexose transporter, putative 0.0038 0.0551 0.3678
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0043 0.0646 0.4537
Schistosoma mansoni protein kinase 0.0037 0.0542 0.1961
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0685 0.2768
Echinococcus multilocularis solute carrier family 22 0.0017 0.0144 0.0042
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0043 0.0646 0.4537
Loa Loa (eye worm) hypothetical protein 0.0017 0.0144 0.0199
Trypanosoma brucei glucose transporter, putative 0.0038 0.0551 0.3678
Leishmania major glucose transporter/membrane transporter D2, putative 0.0038 0.0551 0.3678
Trypanosoma cruzi hexose transporter, putative 0.0038 0.0551 0.3678
Brugia malayi hypothetical protein 0.0017 0.0144 0.0651
Loa Loa (eye worm) sugar transporter 0.0017 0.0144 0.0199
Brugia malayi T-complex protein 1, beta subunit 0.0025 0.0292 0.1325
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0685 0.3102
Toxoplasma gondii hypothetical protein 0.0028 0.0362 0.0352
Mycobacterium leprae conserved hypothetical protein 0.0073 0.1251 0.8534
Plasmodium vivax calcium-dependent protein kinase, putative 0.0037 0.0542 0.0412
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0027 0.0342 0.1792
Brugia malayi major facilitator superfamily protein 0.0017 0.0144 0.0651
Echinococcus granulosus pyruvate kinase 0.0033 0.0447 0.1505
Brugia malayi Major Facilitator Superfamily protein 0.0017 0.0144 0.0651
Echinococcus granulosus Sugar transporter ERD6 protein 0.0017 0.0144 0.0042
Loa Loa (eye worm) T-complex protein 1 0.0025 0.0292 0.0905
Trichomonas vaginalis glucose transporter, putative 0.0038 0.0551 0.1973
Brugia malayi Major Facilitator Superfamily protein 0.0017 0.0144 0.0651
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0037 0.0527 0.1889
Brugia malayi beta-lactamase family protein 0.0073 0.1251 0.5665
Trichomonas vaginalis chaperonin, putative 0.0025 0.0292 0.072
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0025 0.0292 0.076
Mycobacterium leprae Probable pyruvate kinase PykA 0.0033 0.0447 0.1601
Entamoeba histolytica protein kinase, putative 0.0037 0.0542 1
Leishmania major protein kinase, putative 0.0037 0.0542 0.3593
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0025 0.0292 0.076
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0037 0.0527 0.1889
Leishmania major glucose transporter, lmgt2 0.0038 0.0551 0.3678
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0073 0.1251 0.1245
Brugia malayi lysyl-tRNA synthetase 0.0027 0.0342 0.155
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0082 0.1421 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0122 0.2208 1
Schistosoma mansoni protein kinase 0.0037 0.0542 0.1961
Mycobacterium tuberculosis Probable lipase LipD 0.0073 0.1251 0.1245
Brugia malayi hypothetical protein 0.0017 0.0144 0.0651
Trichomonas vaginalis sugar transporter, putative 0.0038 0.0551 0.1973
Mycobacterium tuberculosis Probable hydrolase 0.0073 0.1251 0.1245
Schistosoma mansoni sugar transporter 0.0017 0.0144 0.0042
Plasmodium falciparum T-complex protein 1 subunit beta 0.0025 0.0292 0.016
Trypanosoma brucei glucose transporter, putative 0.0038 0.0551 0.3678
Loa Loa (eye worm) hypothetical protein 0.0082 0.1421 0.6263
Echinococcus multilocularis pyruvate kinase 0.0033 0.0447 0.1505
Schistosoma mansoni pyruvate kinase 0.0033 0.0447 0.1505
Toxoplasma gondii lysine-tRNA ligase 0.0027 0.0342 0.0321
Schistosoma mansoni sugar transporter 0.0017 0.0144 0.0042
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0551 0.1973
Loa Loa (eye worm) beta-lactamase 0.0073 0.1251 0.5456
Loa Loa (eye worm) hypothetical protein 0.0073 0.1251 0.5456
Toxoplasma gondii pyruvate kinase PyK1 0.0033 0.0447 0.0483
Brugia malayi major facilitator superfamily protein 0.0017 0.0144 0.0651
Trypanosoma brucei THT1 - hexose transporter, putative 0.0038 0.0551 0.3678
Loa Loa (eye worm) hypothetical protein 0.0023 0.0253 0.0718
Trypanosoma brucei glucose transporter 1E 0.0038 0.0551 0.3678
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0017 0.0144 0.0042
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0024 0.0276 0.0641
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0082 0.1421 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0028 0.0362 0.2219
Plasmodium vivax proline--tRNA ligase, putative 0.0043 0.0646 0.0518
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0685 0.2653
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0685 0.2653
Trypanosoma cruzi hexose transporter, putative 0.0038 0.0551 0.3678
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0685 0.2653
Mycobacterium tuberculosis Conserved protein 0.0073 0.1251 0.1245
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.1251 0.5363
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0082 0.1421 0.1303
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0017 0.0144 0.0612
Giardia lamblia Sugar-proton symporter 0.0017 0.0144 0.0224
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0447 0.2739
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0082 0.1421 0.1991
Plasmodium falciparum calcium-dependent protein kinase 1 0.0037 0.0542 0.0412
Schistosoma mansoni lysyl-tRNA synthetase 0.0027 0.0342 0.0999
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0037 0.0527 0.2288
Echinococcus granulosus beta LACTamase domain containing family member 0.0073 0.1251 0.5383
Mycobacterium ulcerans sugar transporter 0.0017 0.0144 0.0612
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0122 0.2208 1
Brugia malayi beta-lactamase family protein 0.0073 0.1251 0.5665
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0073 0.1251 0.1245
Loa Loa (eye worm) hypothetical protein 0.0017 0.0144 0.0199
Toxoplasma gondii facilitative glucose transporter GT1 0.0122 0.2208 0.321
Loa Loa (eye worm) hypothetical protein 0.0017 0.0144 0.0199
Brugia malayi Sugar transporter family protein 0.0122 0.2208 1
Giardia lamblia Hexose transporter 0.0017 0.0144 0.0224
Mycobacterium ulcerans integral membrane transport protein 0.0017 0.0144 0.0612
Toxoplasma gondii transporter, major facilitator family protein 0.0017 0.0144 0.0014
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0037 0.0542 0.2088
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0073 0.1251 0.5665
Leishmania major glucose transporter, lmgt1 0.0038 0.0551 0.3678
Plasmodium falciparum proline--tRNA ligase 0.0043 0.0646 0.0518
Trypanosoma brucei glucose transporter, putative 0.0038 0.0551 0.3678
Trypanosoma cruzi hexose transporter, putative 0.0021 0.0213 0.0627
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0037 0.0542 0.0412
Entamoeba histolytica hypothetical protein 0.0027 0.0342 0.309
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0037 0.0542 0.2453
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0025 0.0292 0.076
Echinococcus multilocularis solute carrier family 22 0.0017 0.0144 0.0042
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0197 0.3687 0.3601
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0073 0.1251 0.8751
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0685 0.2653
Trypanosoma cruzi T-complex protein 1, beta subunit, putative 0.0025 0.0292 0.1343
Loa Loa (eye worm) hypothetical protein 0.0073 0.1251 0.5456
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0073 0.1251 0.5456
Schistosoma mansoni glucose transport protein 0.0122 0.2208 1
Toxoplasma gondii sugar transporter ST1 0.0017 0.0144 0.0014
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.1251 0.5383
Loa Loa (eye worm) hypothetical protein 0.0017 0.0144 0.0199
Brugia malayi Pyruvate kinase, M2 isozyme 0.0033 0.0447 0.2024
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0037 0.0542 0.2088
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0037 0.0542 0.1961
Plasmodium vivax lysine--tRNA ligase, putative 0.0027 0.0342 0.021
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0027 0.0342 0.0697
Trypanosoma cruzi hexose transporter 0.0038 0.0551 0.3678
Schistosoma mansoni glucose transport protein 0.0122 0.2208 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0037 0.0542 0.1961
Trypanosoma brucei glucose transporter, putative 0.0038 0.0551 0.3678
Echinococcus granulosus lysyl tRNA synthetase 0.0027 0.0342 0.0999
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.1251 0.5363
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0447 0.1469
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.1251 0.5363
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0685 0.2653
Plasmodium vivax T-complex protein 1 subunit beta, putative 0.0025 0.0292 0.016
Loa Loa (eye worm) hypothetical protein 0.0037 0.0542 0.2088
Toxoplasma gondii t-complex protein beta subunit 0.0025 0.0292 0.0244
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.1251 0.5363
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0122 0.2208 1
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0043 0.0646 0.0791
Schistosoma mansoni sugar transporter 0.0017 0.0144 0.0042
Giardia lamblia TCP-1 chaperonin subunit beta 0.0025 0.0292 0.4021
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0037 0.0542 0.0412
Leishmania major glucose transporter, lmgt3 0.0038 0.0551 0.3678
Brugia malayi Probable ClpP-like protease 0.0082 0.1421 0.6435
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0027 0.0342 0.207
Brugia malayi Sugar transporter family protein 0.0017 0.0144 0.0651
Entamoeba histolytica T-complex protein 1 beta subunit, putative 0.0025 0.0292 0.1367
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0082 0.1421 1
Plasmodium vivax sugar transporter, putative 0.0017 0.0144 0.0009
Loa Loa (eye worm) hypothetical protein 0.0073 0.1251 0.5456
Plasmodium falciparum hexose transporter 0.0122 0.2208 0.2101
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0122 0.2208 1
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0017 0.0144 0.0612
Leishmania major pyruvate kinase 0.0033 0.0447 0.2739
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0082 0.1421 1
Brugia malayi T-complex protein 1, beta subunit 0.0025 0.0292 0.1325
Trypanosoma brucei pyruvate kinase 1, putative 0.0033 0.0447 0.2739
Chlamydia trachomatis pyruvate kinase 0.0033 0.0447 0.284
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0468 0.9037 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0122 0.2208 1
Mycobacterium ulcerans beta-lactamase 0.0073 0.1251 0.8751
Mycobacterium tuberculosis Conserved protein 0.0073 0.1251 0.1245
Plasmodium vivax hypothetical protein, conserved 0.0073 0.1251 0.1131
Trichomonas vaginalis sugar transporter, putative 0.0038 0.0551 0.1973
Loa Loa (eye worm) hypothetical protein 0.0017 0.0144 0.0199
Schistosoma mansoni pyruvate kinase 0.0033 0.0447 0.1505
Trichomonas vaginalis glucose transporter, putative 0.0038 0.0551 0.1973
Plasmodium falciparum lysine--tRNA ligase 0.0027 0.0342 0.021
Onchocerca volvulus 0.0073 0.1251 1
Echinococcus granulosus calcium dependent protein kinase 0.0035 0.0496 0.1742
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0037 0.0542 0.1961
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0447 0.1469
Schistosoma mansoni sugar transporter 0.0017 0.0144 0.0042
Plasmodium falciparum calcium-dependent protein kinase 4 0.0037 0.0542 0.0412
Mycobacterium ulcerans hypothetical protein 0.0073 0.1251 0.8751
Brugia malayi Sugar transporter family protein 0.0017 0.0144 0.0651
Toxoplasma gondii ABC1 family protein 0.0073 0.1251 0.1728
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0028 0.0362 0.0871
Brugia malayi Cam kinase protein 1 0.0037 0.0542 0.2453
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0447 0.2739
Trypanosoma brucei glucose transporter, putative 0.0038 0.0551 0.3678
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.1251 0.5363
Mycobacterium leprae Probable lipase LipE 0.0073 0.1251 0.8534
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0043 0.0646 0.4537
Loa Loa (eye worm) hypothetical protein 0.0017 0.0144 0.0199
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0037 0.0542 0.1961
Brugia malayi hypothetical protein 0.0017 0.0144 0.0651
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0043 0.0646 0.4537
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0073 0.1251 0.1245
Loa Loa (eye worm) hypothetical protein 0.0073 0.1251 0.5456
Echinococcus multilocularis peptidase Clp (S14 family) 0.0054 0.0864 0.3519
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0447 0.2739
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0082 0.1421 1
Trypanosoma brucei glucose transporter, putative 0.0038 0.0551 0.3678
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0447 0.2739
Echinococcus multilocularis General substrate transporter 0.0105 0.187 0.8371
Echinococcus granulosus solute carrier family 22 0.0017 0.0144 0.0042
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0054 0.0864 0.081
Plasmodium vivax pyruvate kinase, putative 0.0033 0.0447 0.0316
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0037 0.0542 0.063
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0037 0.0542 0.063
Leishmania major hypothetical protein, conserved 0.0073 0.1251 1
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0027 0.0342 0.1792
Echinococcus granulosus solute carrier family 22 0.0017 0.0144 0.0042
Loa Loa (eye worm) hypothetical protein 0.0037 0.0527 0.2017
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0028 0.0362 0.023
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0197 0.3687 0.5501
Echinococcus multilocularis solute carrier family 22 0.0017 0.0144 0.0042
Plasmodium falciparum calcium-dependent protein kinase 2 0.0037 0.0542 0.0412
Trichomonas vaginalis CAMK family protein kinase 0.0037 0.0542 0.1927
Mycobacterium ulcerans pyruvate kinase 0.0033 0.0447 0.284
Leishmania major lysyl-tRNA synthetase, putative 0.0027 0.0342 0.1792
Echinococcus multilocularis pyruvate kinase 0.0033 0.0447 0.1505
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0027 0.0342 0.0961
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0017 0.0144 0.0042
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0037 0.0542 0.0412
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0122 0.2208 1
Loa Loa (eye worm) major facilitator superfamily transporter 0.0017 0.0144 0.0199
Echinococcus granulosus peptidase Clp S14 family 0.0054 0.0864 0.3519
Echinococcus multilocularis synaptic vesicle 2 protein 0.0017 0.0144 0.0042
Trypanosoma brucei hypothetical protein, conserved 0.0073 0.1251 1
Onchocerca volvulus 0.0073 0.1251 1
Schistosoma mansoni lysyl-tRNA synthetase 0.0027 0.0342 0.0999
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0037 0.0542 0.1961
Mycobacterium tuberculosis Conserved protein 0.0073 0.1251 0.1245
Loa Loa (eye worm) hypothetical protein 0.0017 0.0144 0.0199
Loa Loa (eye worm) hypothetical protein 0.0017 0.0144 0.0199
Brugia malayi Pyruvate kinase, muscle isozyme 0.0033 0.0447 0.2024
Mycobacterium tuberculosis Probable esterase LipL 0.0073 0.1251 0.1245
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0122 0.2208 1
Giardia lamblia Pyruvate kinase 0.0033 0.0447 0.7965
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0082 0.1421 1
Echinococcus granulosus pyruvate kinase 0.0033 0.0447 0.1505
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0037 0.0527 0.1889
Plasmodium vivax CDK-related protein kinase 6, putative 0.0517 1 1
Plasmodium falciparum major facilitator superfamily domain-containing protein, putative 0.0017 0.0144 0.0009
Chlamydia trachomatis lysine--tRNA ligase 0.0027 0.0342 0.207
Schistosoma mansoni glucose transport protein 0.0122 0.2208 1
Giardia lamblia Lysyl-tRNA synthetase 0.0027 0.0342 0.529
Trypanosoma brucei glucose transporter 2A 0.0038 0.0551 0.3678
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0043 0.0646 0.4537
Echinococcus multilocularis lysyl tRNA synthetase 0.0027 0.0342 0.0999
Leishmania major T-complex protein 1, beta subunit, putative 0.0025 0.0292 0.1343
Echinococcus multilocularis pyruvate kinase 0.0026 0.0312 0.0853
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0023 0.0261 0.0132
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0033 0.0447 0.0341
Schistosoma mansoni hypothetical protein 0.0122 0.2208 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0082 0.1421 0.6203
Mycobacterium ulcerans lipase LipD 0.0073 0.1251 0.8751
Echinococcus granulosus solute carrier family 22 0.0017 0.0144 0.0042
Trypanosoma brucei THT1 - hexose transporter, putative 0.0038 0.0551 0.3678
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0082 0.1421 0.1303
Trichomonas vaginalis sugar transporter, putative 0.0038 0.0551 0.1973
Trypanosoma brucei glucose transporter, putative 0.0038 0.0551 0.3678
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0054 0.0864 0.5202
Loa Loa (eye worm) pyruvate kinase-PB 0.0023 0.0253 0.0718
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0082 0.1421 0.1991
Loa Loa (eye worm) hypothetical protein 0.0017 0.0144 0.0199
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0447 0.2739
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0037 0.0527 0.1889
Giardia lamblia Prolyl-tRNA synthetase 0.0037 0.0527 1
Plasmodium falciparum protein kinase 7 0.0344 0.6592 0.6545
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0082 0.1421 0.6203
Mycobacterium tuberculosis Probable lipase LipE 0.0073 0.1251 0.1245
Echinococcus multilocularis beta LACTamase domain containing family member 0.0073 0.1251 0.5383
Plasmodium falciparum pyruvate kinase 0.0033 0.0447 0.0316
Trypanosoma cruzi hexose transporter, putative 0.0038 0.0551 0.3678
Trichomonas vaginalis chaperonin-60kD, ch60, putative 0.0025 0.0292 0.072
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.1251 0.5383
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0037 0.0527 0.2385
Schistosoma mansoni glucose transporter 0.0017 0.0144 0.0042
Brugia malayi Major Facilitator Superfamily protein 0.0017 0.0144 0.0651
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0028 0.0362 0.023
Trichomonas vaginalis esterase, putative 0.0073 0.1251 0.5363
Toxoplasma gondii sugar transporter ST3 0.0017 0.0144 0.0014
Trichomonas vaginalis conserved hypothetical protein 0.0122 0.2208 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0037 0.0542 0.1961
Toxoplasma gondii protein kinase, putative 0.0344 0.6592 1
Brugia malayi beta-lactamase 0.0073 0.1251 0.5665
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0082 0.1421 1
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0037 0.0542 0.3593
Trypanosoma brucei T-complex protein 1, beta subunit, putative 0.0025 0.0292 0.1343
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0447 0.1639
Echinococcus granulosus synaptic vesicle 2 protein 0.0017 0.0144 0.0042
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0037 0.0527 0.2385
Mycobacterium ulcerans esterase/lipase LipP 0.0073 0.1251 0.8751
Echinococcus multilocularis solute carrier family 22 0.0017 0.0144 0.0042
Plasmodium falciparum calcium-dependent protein kinase 3 0.0037 0.0542 0.0412
Leishmania major pyruvate kinase 0.0033 0.0447 0.2739
Loa Loa (eye worm) sugar transporter 0.0122 0.2208 1
Loa Loa (eye worm) major facilitator superfamily transporter 0.0017 0.0144 0.0199
Loa Loa (eye worm) hypothetical protein 0.003 0.0392 0.1375
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0551 0.1973
Loa Loa (eye worm) hypothetical protein 0.0037 0.0527 0.2017
Loa Loa (eye worm) hypothetical protein 0.0017 0.0144 0.0199
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0447 0.1639
Trypanosoma brucei glucose transporter, putative 0.0038 0.0551 0.3678
Loa Loa (eye worm) hypothetical protein 0.0017 0.0144 0.0199
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0037 0.0527 0.9484
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0037 0.0527 0.1855
Echinococcus granulosus General substrate transporter 0.0105 0.187 0.8371
Plasmodium vivax hexose transporter 0.0122 0.2208 0.2101
Schistosoma mansoni protein kinase 0.0037 0.0542 0.1961
Loa Loa (eye worm) hypothetical protein 0.0073 0.1251 0.5456
Plasmodium falciparum mitogen-activated protein kinase 2 0.0197 0.3687 0.3601
Loa Loa (eye worm) hypothetical protein 0.0017 0.0144 0.0199
Schistosoma mansoni peptidase Clp (S14 family) 0.0082 0.1421 0.6203
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0054 0.0864 0.081
Schistosoma mansoni serine/threonine protein kinase 0.0037 0.0542 0.1961
Echinococcus granulosus solute carrier family 22 0.0017 0.0144 0.0042

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.0069 uM Cytotoxicity against human H460 cells after 72 hrs by MTT assay ChEMBL. 21514012
IC50 (functional) = 0.042 uM Cytotoxicity against human HT-29 cells after 72 hrs by MTT assay ChEMBL. 21514012
IC50 (functional) = 0.12 uM Cytotoxicity against human A549 cells after 72 hrs by MTT assay ChEMBL. 21514012
IC50 (functional) = 3.47 uM Cytotoxicity against human SMMC7721 cells after 72 hrs by MTT assay ChEMBL. 21514012

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 21514012

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

No literature references available for this target.

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