Detailed information for compound 1505136

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 398.417 | Formula: C22H18N6O2
  • H donors: 0 H acceptors: 2 LogP: 2.59 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)Cn1cnc2c1ncnc1c2nc(=O)n1Cc1ccccc1
  • InChi: 1S/C22H18N6O2/c1-30-17-9-7-16(8-10-17)11-27-14-25-18-19-21(24-13-23-20(18)27)28(22(29)26-19)12-15-5-3-2-4-6-15/h2-10,13-14H,11-12H2,1H3
  • InChiKey: DYNUTYRYCZYXBF-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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
Onchocerca volvulus Histone deacetylase 10 homolog 0.0121 0.1409 0.3318
Echinococcus granulosus tubulin epsilon chain 0.0157 0.1981 0.458
Trichomonas vaginalis tubulin gamma chain, putative 0.0068 0.0584 0.0619
Trichomonas vaginalis tubulin beta chain, putative 0.0233 0.3168 0.3874
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0263 0.3644 0.4474
Schistosoma mansoni tubulin subunit beta 0.0266 0.3683 0.4358
Trichomonas vaginalis tubulin, putative 0.0089 0.0909 0.1028
Onchocerca volvulus 0.0213 0.2861 1
Brugia malayi Pre-SET motif family protein 0.0187 0.2455 0.2765
Mycobacterium tuberculosis Probable penicillin-binding protein PbpA 0.0378 0.5455 1
Leishmania major histone deacetylase, putative 0.0302 0.4262 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0263 0.3644 0.4474
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.0584 0.0619
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0266 0.3683 0.8624
Schistosoma mansoni tubulin subunit beta 0.0266 0.3683 0.4358
Brugia malayi histone deacetylase 11 0.0121 0.1409 0.1408
Trichomonas vaginalis tubulin gamma chain, putative 0.0157 0.1981 0.2378
Echinococcus multilocularis tubulin alpha chain 0.0233 0.3168 0.7402
Schistosoma mansoni histone deacetylase hda2 0.0239 0.3268 0.3821
Loa Loa (eye worm) tubulin beta chain 0.0068 0.0584 0.0406
Echinococcus granulosus tubulin alpha 3 chain 0.0233 0.3168 0.7402
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0052 0.0324 0.0233
Trichomonas vaginalis tubulin alpha chain, putative 0.0089 0.0909 0.1028
Entamoeba histolytica histone deacetylase, putative 0.0302 0.4262 1
Echinococcus multilocularis histone deacetylase 0.0233 0.3172 0.7411
Trypanosoma brucei tubulin gamma chain 0.0157 0.1981 0.4647
Echinococcus granulosus histone deacetylase 0.0233 0.3172 0.7411
Mycobacterium tuberculosis Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen 0.0258 0.3561 0.631
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0093 0.0219
Treponema pallidum penicillin-binding protein (pbp-2) 0.0385 0.5566 0.5291
Leishmania major beta tubulin 0.0266 0.3683 0.853
Schistosoma mansoni histone deacetylase hda2 0.0121 0.1409 0.1408
Schistosoma mansoni histone deacetylase 1 2 3 0.0121 0.1409 0.1408
Leishmania major alpha tubulin 0.0233 0.3168 0.7223
Echinococcus granulosus Tubulin alpha 1 chain 0.0233 0.3168 0.7402
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0089 0.0909 0.1028
Mycobacterium tuberculosis Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase 0.0128 0.1518 0.2327
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0129 0.1531 0.19
Echinococcus granulosus Tubulin alpha 1 chain 0.0233 0.3168 0.7402
Trichomonas vaginalis tubulin epsilon chain, putative 0.0266 0.3683 0.4522
Brugia malayi tubulin alpha-2 chain 0.0233 0.3168 0.369
Loa Loa (eye worm) histone deacetylase 11 0.0121 0.1409 0.1469
Brugia malayi beta-tubulin, identical 0.0266 0.3683 0.4358
Trypanosoma brucei histone deacetylase 1 0.0302 0.4262 1
Leishmania major epsilon tubulin, putative 0.0157 0.1981 0.4207
Plasmodium falciparum histone deacetylase, putative 0.0233 0.3172 0.7037
Entamoeba histolytica tubulin alpha chain, putative 0.0233 0.3168 0.7134
Echinococcus granulosus tubulin subunit beta 0.0266 0.3683 0.8624
Plasmodium falciparum histone deacetylase 2 0.0233 0.3172 0.7037
Trypanosoma cruzi zeta tubulin, putative 0.0068 0.0584 0.1178
Loa Loa (eye worm) histone deacetylase 7A 0.0233 0.3172 0.374
Loa Loa (eye worm) tubulin alpha 2 0.0165 0.2097 0.2354
Leishmania major alpha tubulin 0.0233 0.3168 0.7223
Leishmania major alpha tubulin 0.0233 0.3168 0.7223
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0059 0.0446 0.0846
Leishmania major beta tubulin 0.0266 0.3683 0.853
Echinococcus granulosus histone deacetylase 6 0.0233 0.3172 0.7411
Leishmania major beta tubulin 0.0266 0.3683 0.853
Plasmodium vivax tubulin gamma chain, putative 0.0157 0.1981 0.3797
Entamoeba histolytica tubulin family protein 0.0266 0.3683 0.8483
Trypanosoma cruzi tubulin delta chain 0.0068 0.0584 0.1178
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0093 0.0219
Brugia malayi histone deacetylase 3 (HD3) 0.0302 0.4262 0.5109
Loa Loa (eye worm) hypothetical protein 0.0118 0.1372 0.1421
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0093 0.0219
Trichomonas vaginalis tubulin beta chain, putative 0.0233 0.3168 0.3874
Trichomonas vaginalis tubulin gamma chain, putative 0.0157 0.1981 0.2378
Leishmania major beta tubulin 0.0266 0.3683 0.853
Trichomonas vaginalis tubulin epsilon chain, putative 0.0266 0.3683 0.4522
Leishmania major alpha tubulin 0.0233 0.3168 0.7223
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0106 0.118 0.2678
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0263 0.3644 0.4474
Echinococcus multilocularis beta tubulin 0.0266 0.3683 0.8624
Toxoplasma gondii beta-tubulin, putative 0.0266 0.3683 0.8426
Trypanosoma brucei histone deacetylase, putative 0.0233 0.3172 0.7443
Leishmania major beta tubulin 0.0266 0.3683 0.853
Leishmania major alpha tubulin 0.0233 0.3168 0.7223
Echinococcus multilocularis histone deacetylase 3 0.0302 0.4262 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0093 0.0219
Echinococcus granulosus tubulin alpha chain 0.0233 0.3168 0.7402
Echinococcus granulosus Tubulin beta 2C chain 0.0266 0.3683 0.8624
Brugia malayi Tubulin alpha-2 chain 0.0233 0.3168 0.369
Trypanosoma brucei beta tubulin 0.0157 0.1981 0.4647
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0059 0.0446 0.0159
Leishmania major histone deacetylase, putative 0.0233 0.3172 0.7233
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0263 0.3644 0.8382
Echinococcus granulosus beta tubulin 0.0266 0.3683 0.8624
Schistosoma mansoni tubulin subunit alpha 0.0233 0.3168 0.369
Plasmodium falciparum alpha tubulin 1 0.0233 0.3168 0.7026
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0302 0.4262 0.5251
Brugia malayi Tubulin alpha chain 0.0233 0.3168 0.369
Echinococcus multilocularis Tubulin beta 2C chain 0.0266 0.3683 0.8624
Mycobacterium leprae PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN 0.0258 0.3561 0.5976
Leishmania major alpha tubulin 0.0233 0.3168 0.7223
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0059 0.0446 0.0159
Brugia malayi Histone deacetylase family protein 0.0233 0.3172 0.3695
Leishmania major alpha tubulin 0.0233 0.3168 0.7223
Echinococcus multilocularis tubulin gamma 1 chain 0.0157 0.1981 0.458
Plasmodium vivax tubulin beta chain, putative 0.0266 0.3683 0.8426
Loa Loa (eye worm) beta-tubulin 0.0266 0.3683 0.4398
Trichomonas vaginalis tubulin beta chain, putative 0.0089 0.0909 0.1028
Schistosoma mansoni tubulin subunit beta 0.0068 0.0584 0.0338
Echinococcus granulosus Tubulin beta 2C chain 0.0266 0.3683 0.8624
Trichomonas vaginalis tubulin alpha chain, putative 0.0157 0.1981 0.2378
Loa Loa (eye worm) tubulin beta chain 0.0266 0.3683 0.4398
Echinococcus granulosus tubulin gamma 1 chain 0.0157 0.1981 0.458
Loa Loa (eye worm) alpha-tubulin 0.0233 0.3168 0.3735
Leishmania major beta tubulin 0.0266 0.3683 0.853
Loa Loa (eye worm) hypothetical protein 0.0233 0.3168 0.3735
Mycobacterium ulcerans cell division protein FtsZ 0.0068 0.0584 0.0498
Leishmania major delta tubulin, putative 0.0068 0.0584 0.0662
Brugia malayi Tubulin alpha chain 0.0068 0.0584 0.0338
Trypanosoma brucei alpha tubulin 0.0233 0.3168 0.7434
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0059 0.0446 0.1046
Schistosoma mansoni histone deacetylase 0.0302 0.4262 0.5109
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0233 0.3168 0.3874
Giardia lamblia Histone deacetylase 0.0302 0.4262 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0089 0.0909 0.1028
Schistosoma mansoni tubulin subunit beta 0.0266 0.3683 0.4358
Schistosoma mansoni glutaminase 0.0542 0.8031 1
Brugia malayi Histone deacetylase 1 0.0302 0.4262 0.5109
Brugia malayi Tubulin beta-1 chain 0.0266 0.3683 0.4358
Mycobacterium leprae Probable penicillin-binding protein PbpA 0.0378 0.5455 0.9776
Mycobacterium ulcerans penicillin-binding protein PbpA 0.0378 0.5455 0.5433
Trichomonas vaginalis histone deacetylase, putative 0.0302 0.4262 0.5251
Trypanosoma brucei histone deacetylase 2 0.0121 0.1409 0.3306
Loa Loa (eye worm) tubulin alpha 2 0.0076 0.07 0.0556
Leishmania major histone deacetylase, putative 0.0302 0.4262 1
Trypanosoma brucei beta tubulin 0.0266 0.3683 0.8642
Leishmania major beta tubulin 0.0266 0.3683 0.853
Trypanosoma brucei beta tubulin 0.0266 0.3683 0.8642
Trypanosoma brucei zeta tubulin 0.0068 0.0584 0.1371
Loa Loa (eye worm) tubulin alpha 2 0.0165 0.2097 0.2354
Trypanosoma cruzi beta tubulin, putative 0.0266 0.3683 0.8611
Trypanosoma cruzi histone deacetylase, putative 0.0121 0.1409 0.3157
Leishmania major alpha tubulin 0.0233 0.3168 0.7223
Echinococcus multilocularis Tubulin beta 2C chain 0.0266 0.3683 0.8624
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0263 0.3644 0.8382
Plasmodium vivax histone deacetylase, putative 0.0121 0.1409 0.2243
Mycobacterium leprae POSSIBLE PENICILLIN-BINDING LIPOPROTEIN 0.0137 0.1668 0.2175
Trypanosoma brucei beta tubulin 0.0266 0.3683 0.8642
Trichomonas vaginalis tubulin beta-1 chain, putative 0.0068 0.0584 0.0619
Schistosoma mansoni tubulin subunit epsilon 0.0157 0.1981 0.215
Echinococcus multilocularis Tubulin alpha 1 chain 0.0233 0.3168 0.7402
Mycobacterium tuberculosis Possible penicillin-binding lipoprotein 0.0137 0.1668 0.2619
Mycobacterium ulcerans penicillin-binding lipoprotein 0.0137 0.1668 0.1595
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0157 0.1981 0.3797
Echinococcus multilocularis Tubulin beta 2C chain 0.0266 0.3683 0.8624
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0059 0.0446 0.0228
Plasmodium vivax tubulin alpha chain, putative 0.0233 0.3168 0.7026
Trichomonas vaginalis tubulin epsilon chain, putative 0.0233 0.3168 0.3874
Echinococcus granulosus histone deacetylase 3 0.0302 0.4262 1
Echinococcus multilocularis dna polymerase kappa 0.0037 0.0093 0.0096
Brugia malayi alpha-tubulin 0.0233 0.3168 0.369
Brugia malayi glutaminase DH11.1 0.0542 0.8031 1
Schistosoma mansoni tubulin subunit alpha 0.0068 0.0584 0.0338
Echinococcus granulosus tubulin alpha 0.0157 0.1981 0.458
Trichomonas vaginalis histone deacetylase, putative 0.0302 0.4262 0.5251
Echinococcus granulosus tubulin beta 4A class IVa 0.0266 0.3683 0.8624
Leishmania major beta tubulin 0.0266 0.3683 0.853
Schistosoma mansoni lipoxygenase 0.0106 0.118 0.1111
Treponema pallidum penicillin-binding protein (pbp-3) 0.0665 0.9962 0.996
Trichomonas vaginalis tubulin beta chain, putative 0.0233 0.3168 0.3874
Echinococcus granulosus peroxisome assembly protein 26 0.0233 0.3168 0.7402
Toxoplasma gondii histone deacetylase HDAC4 0.0121 0.1409 0.2243
Echinococcus multilocularis tubulin alpha 3 chain 0.0233 0.3168 0.7402
Loa Loa (eye worm) tubulin beta-2A chain 0.0266 0.3683 0.4398
Leishmania major beta tubulin 0.0266 0.3683 0.853
Trypanosoma brucei epsilon tubulin 0.0157 0.1981 0.4647
Loa Loa (eye worm) histone deacetylase 0.0233 0.3172 0.374
Leishmania major histone deacetylase, putative 0.0233 0.3172 0.7233
Echinococcus granulosus tubulin alpha 1C chain 0.0233 0.3168 0.7402
Schistosoma mansoni histone deacetylase 0.0302 0.4262 0.5109
Giardia lamblia Gamma tubulin 0.0157 0.1981 0.3797
Loa Loa (eye worm) glutaminase 0.0542 0.8031 1
Brugia malayi tubulin alpha chain - mouse 0.0233 0.3168 0.369
Echinococcus multilocularis histone deacetylase 6 0.0233 0.3172 0.7411
Echinococcus granulosus dna polymerase kappa 0.0037 0.0093 0.0096
Giardia lamblia Alpha-tubulin 0.0233 0.3168 0.7026
Schistosoma mansoni histone deacetylase 4 5 0.0233 0.3172 0.3695
Giardia lamblia Beta tubulin 0.0266 0.3683 0.8426
Giardia lamblia Beta tubulin 0.0266 0.3683 0.8426
Echinococcus multilocularis tubulin alpha chain 0.0233 0.3168 0.7402
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0093 0.0219
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0075 0.0688 0.0473
Leishmania major beta tubulin 0.0266 0.3683 0.853
Echinococcus multilocularis tubulin alpha chain 0.0233 0.3168 0.7402
Trichomonas vaginalis histone deacetylase, putative 0.0302 0.4262 0.5251
Schistosoma mansoni tubulin subunit alpha 0.0233 0.3168 0.369
Trichomonas vaginalis tubulin beta chain, putative 0.0233 0.3168 0.3874
Trichomonas vaginalis tubulin gamma chain, putative 0.0266 0.3683 0.4522
Echinococcus granulosus histone deacetylase 7 0.0233 0.3172 0.7411
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0263 0.3644 0.4474
Loa Loa (eye worm) hypothetical protein 0.0075 0.0688 0.054
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0263 0.3644 0.4474
Echinococcus multilocularis Tubulin alpha 1 chain 0.0233 0.3168 0.7402
Toxoplasma gondii histone deacetylase HDAC3 0.0302 0.4262 1
Echinococcus granulosus tubulin alpha chain 0.0233 0.3168 0.7402
Echinococcus multilocularis tubulin alpha 1C chain 0.0233 0.3168 0.7402
Trypanosoma brucei epsilon tubulin 0.0157 0.1981 0.4647
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0106 0.118 0.2678
Echinococcus multilocularis tubulin alpha 3 chain 0.0233 0.3168 0.7402
Trypanosoma cruzi histone deacetylase 1, putative 0.0302 0.4262 1
Trypanosoma brucei alpha tubulin 0.0233 0.3168 0.7434
Echinococcus granulosus tubulin alpha 3 chain 0.0233 0.3168 0.7402
Echinococcus multilocularis tubulin alpha chain 0.0233 0.3168 0.7402
Loa Loa (eye worm) tubulin alpha chain 0.0233 0.3168 0.3735
Echinococcus granulosus tubulin alpha chain 0.0233 0.3168 0.7402
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0187 0.2455 0.2816
Trichomonas vaginalis tubulin beta chain, putative 0.0266 0.3683 0.4522
Echinococcus multilocularis histone deacetylase 8 0.0121 0.1409 0.3222
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0129 0.1531 0.1457
Treponema pallidum fructose-bisphosphate aldolase 0.0263 0.3644 0.325
Trypanosoma brucei tubulin delta chain 0.0068 0.0584 0.1371
Echinococcus multilocularis hypothetical protein 0.0233 0.3168 0.7402
Loa Loa (eye worm) glutaminase 2 0.0542 0.8031 1
Onchocerca volvulus 0.0089 0.0909 0.1017
Trypanosoma cruzi histone deacetylase, putative 0.0233 0.3172 0.7386
Echinococcus multilocularis histone deacetylase 6 0.0239 0.3268 0.764
Echinococcus granulosus Tubulin beta 2C chain 0.0266 0.3683 0.8624
Plasmodium falciparum histone deacetylase 1 0.0302 0.4262 1
Trypanosoma cruzi alpha tubulin, putative 0.0233 0.3168 0.7377
Trichomonas vaginalis tubulin beta chain, putative 0.0233 0.3168 0.3874
Echinococcus granulosus Tubulin beta 2C chain 0.0266 0.3683 0.8624
Echinococcus granulosus histone deacetylase 6 0.0239 0.3268 0.764
Loa Loa (eye worm) hypothetical protein 0.0112 0.1276 0.1297
Echinococcus granulosus tubulin subunit TubB 0.0233 0.3168 0.7402
Echinococcus multilocularis Tubulin beta 2C chain 0.0266 0.3683 0.8624
Brugia malayi Tubulin gamma chain 0.0157 0.1981 0.215
Toxoplasma gondii beta tubulin 0.0266 0.3683 0.8426
Echinococcus granulosus tubulin alpha 1C chain 0.0233 0.3168 0.7402
Loa Loa (eye worm) histone deacetylase 3 0.0302 0.4262 0.5144
Echinococcus multilocularis tubulin alpha 1C chain 0.0233 0.3168 0.7402
Schistosoma mansoni tubulin subunit delta 0.0068 0.0584 0.0338
Trypanosoma brucei epsilon tubulin 0.0157 0.1981 0.4647
Schistosoma mansoni lipoxygenase 0.0074 0.0678 0.046
Schistosoma mansoni alpha tubulin 0.0233 0.3168 0.369
Loa Loa (eye worm) hypothetical protein 0.0121 0.1409 0.1469
Brugia malayi Tubulin beta chain 0.0068 0.0584 0.0338
Leishmania major beta tubulin 0.0266 0.3683 0.853
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0263 0.3644 0.4474
Trypanosoma brucei histone deacetylase 3 0.0233 0.3172 0.7443
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0093 0.0219
Loa Loa (eye worm) BEN-1 protein 0.0266 0.3683 0.4398
Echinococcus multilocularis Tubulin beta 2C chain 0.0266 0.3683 0.8624
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0075 0.0688 0.0473
Trypanosoma brucei DNA polymerase IV, putative 0.0037 0.0093 0.0219
Echinococcus granulosus histone deacetylase 8 0.0121 0.1409 0.3222
Echinococcus multilocularis peroxisome assembly protein 26 0.0233 0.3168 0.7402
Mycobacterium ulcerans bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 0.0258 0.3561 0.3514
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0052 0.0324 0.0233
Trypanosoma brucei alpha tubulin 0.0233 0.3168 0.7434
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0144 0.1772 0.2115
Trichomonas vaginalis glutaminase, putative 0.0542 0.8031 1
Plasmodium vivax tubulin alpha chain, putative 0.0233 0.3168 0.7026
Echinococcus granulosus tubulin delta chain 0.0068 0.0584 0.1262
Plasmodium falciparum tubulin gamma chain 0.0157 0.1981 0.3797
Schistosoma mansoni tubulin subunit beta 0.0266 0.3683 0.4358
Brugia malayi Histone deacetylase family protein 0.0233 0.3172 0.3695
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0093 0.0219
Loa Loa (eye worm) hypothetical protein 0.0165 0.2097 0.2354
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0052 0.0324 0.0643
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0093 0.0219
Echinococcus multilocularis tubulin alpha 0.0157 0.1981 0.458
Loa Loa (eye worm) tubulin alpha-2 chain 0.0233 0.3168 0.3735
Schistosoma mansoni tubulin subunit beta 0.0266 0.3683 0.4358
Plasmodium falciparum tubulin epsilon chain, putative 0.0157 0.1981 0.3797
Loa Loa (eye worm) tubulin alpha chain 0.0233 0.3168 0.3735
Loa Loa (eye worm) tubulin alpha-3 chain 0.0144 0.1772 0.1936
Echinococcus granulosus tubulin alpha chain 0.0233 0.3168 0.7402
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0129 0.1531 0.2353
Leishmania major beta tubulin 0.0266 0.3683 0.853
Trichomonas vaginalis histone deacetylase, putative 0.0302 0.4262 0.5251
Trypanosoma cruzi epsilon tubulin, putative 0.0157 0.1981 0.4528
Mycobacterium ulcerans glutaminase 0.0542 0.8031 0.8043
Mycobacterium ulcerans bifunctional penicillin-binding protein 1A/1B PonA1 0.0385 0.5566 0.5546
Echinococcus multilocularis beta tubulin 0.0266 0.3683 0.8624
Loa Loa (eye worm) alpha-tubulin 0.0233 0.3168 0.3735
Toxoplasma gondii beta-1 tubulin, putative 0.0266 0.3683 0.8426
Echinococcus multilocularis tubulin subunit TubB 0.0233 0.3168 0.7402
Mycobacterium leprae Probable penicillin-binding membrane protein PbpB 0.0239 0.3262 0.5375
Trichomonas vaginalis histone deacetylase, putative 0.0302 0.4262 0.5251
Trichomonas vaginalis histone deacetylase, putative 0.0302 0.4262 0.5251
Echinococcus multilocularis tubulin subunit beta 0.0266 0.3683 0.8624
Trypanosoma cruzi tubulin delta chain 0.0068 0.0584 0.1178
Toxoplasma gondii alpha tubulin TUBA1 0.0233 0.3168 0.7026
Leishmania major beta tubulin 0.0266 0.3683 0.853
Mycobacterium tuberculosis Cell division protein FtsZ 0.0068 0.0584 0.0508
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0302 0.4262 0.5251
Schistosoma mansoni tubulin subunit beta 0.0266 0.3683 0.4358
Entamoeba histolytica tubulin alpha-1 chain 0.0233 0.3168 0.7134
Trypanosoma brucei alpha tubulin, putative 0.0089 0.0909 0.2133
Echinococcus multilocularis L aminoadipate semialdehyde 0.0075 0.0688 0.1509
Brugia malayi Tubulin beta chain 0.0089 0.0909 0.076
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0165 0.2097 0.2354
Leishmania major alpha tubulin 0.0233 0.3168 0.7223
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0059 0.0446 0.031
Plasmodium falciparum tubulin beta chain 0.0266 0.3683 0.8426
Trypanosoma brucei alpha tubulin 0.0233 0.3168 0.7434
Echinococcus granulosus alpha tubulin 0.0233 0.3168 0.7402
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0059 0.0446 0.0934
Leishmania major beta tubulin 0.0266 0.3683 0.853
Plasmodium vivax histone deacetylase, putative 0.0233 0.3172 0.7037
Echinococcus granulosus histone deacetylase 6 0.0233 0.3172 0.7411
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0052 0.0324 0.0643
Brugia malayi histone deacetylase 1 (HD1) 0.0302 0.4262 0.5109
Trypanosoma cruzi histone deacetylase, putative 0.0121 0.1409 0.3157
Trypanosoma brucei histone deacetylase 4 0.0233 0.3172 0.7443
Echinococcus multilocularis tubulin beta 1 chain 0.0266 0.3683 0.8624
Echinococcus multilocularis histone deacetylase 1 0.0302 0.4262 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0089 0.0909 0.1028
Echinococcus multilocularis tubulin alpha chain 0.0233 0.3168 0.7402
Echinococcus multilocularis tubulin epsilon chain 0.0157 0.1981 0.458
Trichomonas vaginalis tubulin epsilon chain, putative 0.0068 0.0584 0.0619
Giardia lamblia Alpha-tubulin 0.0233 0.3168 0.7026
Plasmodium vivax tubulin epsilon chain, putative 0.0157 0.1981 0.3797
Echinococcus granulosus Tubulin alpha 1 chain 0.0233 0.3168 0.7402
Trypanosoma brucei beta tubulin 0.0266 0.3683 0.8642
Echinococcus granulosus histone deacetylase 1 0.0302 0.4262 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0266 0.3683 0.4522
Echinococcus granulosus tubulin beta 1 chain 0.0266 0.3683 0.8624
Loa Loa (eye worm) histone deacetylase 1 0.0302 0.4262 0.5144
Trichomonas vaginalis tubulin epsilon chain, putative 0.0233 0.3168 0.3874
Trichomonas vaginalis tubulin, putative 0.0089 0.0909 0.1028
Trypanosoma brucei zeta tubulin, putative 0.0068 0.0584 0.1371
Plasmodium vivax histone deacetylase 2, putative 0.0233 0.3172 0.7037
Echinococcus multilocularis tubulin delta chain 0.0068 0.0584 0.1262
Schistosoma mansoni tubulin subunit alpha 0.0233 0.3168 0.369
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.0584 0.0619
Giardia lamblia Fructose-bisphosphate aldolase 0.0263 0.3644 0.8321
Leishmania major beta tubulin 0.0266 0.3683 0.853
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0059 0.0446 0.0846
Loa Loa (eye worm) hypothetical protein 0.0144 0.1772 0.1936
Schistosoma mansoni histone deacetylase 4 5 0.0233 0.3172 0.3695
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0059 0.0446 0.0934
Trichomonas vaginalis tubulin beta chain, putative 0.0233 0.3168 0.3874
Mycobacterium tuberculosis Probable penicillin-binding membrane protein PbpB 0.0239 0.3262 0.5727
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0302 0.4262 0.5251
Echinococcus multilocularis Tubulin alpha 1 chain 0.0233 0.3168 0.7402
Trypanosoma cruzi epsilon tubulin, putative 0.0157 0.1981 0.4528
Loa Loa (eye worm) BEN-1 protein 0.0266 0.3683 0.4398
Brugia malayi Cell division protein ftsZ 0.0068 0.0584 0.0338
Giardia lamblia Beta tubulin 0.0266 0.3683 0.8426
Leishmania major alpha tubulin 0.0233 0.3168 0.7223
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0165 0.2097 0.2524
Leishmania major gamma-tubulin 0.0157 0.1981 0.4207
Toxoplasma gondii histone deacetylase HDAC1 0.0233 0.3172 0.7037
Loa Loa (eye worm) tubulin gamma chain 0.0157 0.1981 0.2205
Entamoeba histolytica tubulin gamma chain 0.0157 0.1981 0.4022
Toxoplasma gondii histone deacetylase HDAC2 0.0302 0.4262 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0302 0.4262 1
Echinococcus granulosus Tubulin beta 2C chain 0.0266 0.3683 0.8624
Leishmania major beta tubulin 0.0266 0.3683 0.853
Schistosoma mansoni tubulin subunit gamma 0.0157 0.1981 0.215
Loa Loa (eye worm) tubulin beta-4 chain 0.0266 0.3683 0.4398
Trichomonas vaginalis set domain proteins, putative 0.0213 0.2861 0.3487
Brugia malayi Tubulin alpha-2 chain 0.0233 0.3168 0.369
Entamoeba histolytica tubulin family protein 0.0266 0.3683 0.8483
Trichomonas vaginalis tubulin, putative 0.0068 0.0584 0.0619
Schistosoma mansoni alpha tubulin 0.0233 0.3168 0.369
Trichomonas vaginalis conserved hypothetical protein 0.0385 0.5566 0.6895
Loa Loa (eye worm) hypothetical protein 0.0302 0.4262 0.5144
Schistosoma mansoni alpha tubulin 0.0233 0.3168 0.369
Leishmania major alpha tubulin 0.0233 0.3168 0.7223
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0093 0.0219
Echinococcus multilocularis histone deacetylase 6 0.0233 0.3172 0.7411
Plasmodium vivax histone deacetylase 1, putative 0.0302 0.4262 1
Leishmania major zeta tubulin, putative 0.0068 0.0584 0.0662
Echinococcus granulosus beta tubulin 0.0266 0.3683 0.8624
Trypanosoma cruzi histone deacetylase, putative 0.0233 0.3172 0.7386
Plasmodium falciparum alpha tubulin 2 0.0233 0.3168 0.7026
Trichomonas vaginalis tubulin, putative 0.0266 0.3683 0.4522
Mycobacterium ulcerans penicillin-binding membrane protein PbpB 0.0665 0.9962 1
Mycobacterium leprae PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE 0.0385 0.5566 1
Leishmania major beta tubulin 0.0266 0.3683 0.853
Echinococcus granulosus L aminoadipate semialdehyde 0.0075 0.0688 0.1509
Leishmania major beta tubulin 0.0266 0.3683 0.853
Loa Loa (eye worm) tubulin beta-1 chain 0.0266 0.3683 0.4398
Leishmania major alpha tubulin 0.0233 0.3168 0.7223
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0263 0.3644 0.4474
Echinococcus multilocularis histone deacetylase 7 0.0233 0.3172 0.7411
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0263 0.3644 0.4474
Trypanosoma cruzi tubulin gamma chain 0.0157 0.1981 0.4528
Trypanosoma cruzi zeta tubulin, putative 0.0068 0.0584 0.1178
Trypanosoma cruzi histone deacetylase, putative 0.0233 0.3172 0.7386
Toxoplasma gondii alpha-tubulin I, putative 0.0233 0.3168 0.7026
Toxoplasma gondii histone deacetylase HDAC5 0.0121 0.1409 0.2243
Trypanosoma brucei DNA polymerase IV, putative 0.0037 0.0093 0.0219
Echinococcus granulosus tubulin alpha chain 0.0233 0.3168 0.7402

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 1.7 uM Cytotoxicity against human A549 cells after 72 hrs by WST1 assay ChEMBL. 21572541
IC50 (functional) = 1.8 uM Cytotoxicity against human H460 cells after 72 hrs by WST1 assay ChEMBL. 21572541
IC50 (functional) = 2.3 uM Cytotoxicity against human MDA-MB-231 cells after 72 hrs by WST1 assay ChEMBL. 21572541
IC50 (functional) = 4.05 uM Cytotoxicity against human PC3 cells after 72 hrs by WST1 assay ChEMBL. 21572541
IC50 (functional) = 4.05 uM Cytotoxicity against human PC3 cells after 72 hrs by WST1 assay ChEMBL. 23290252
IC50 (functional) = 5 uM Cytotoxicity against human OVCAR3 cells after 72 hrs by WST1 assay ChEMBL. 21572541
IC50 (functional) = 7 uM Cytotoxicity against human MCF7 cells after 72 hrs by WST1 assay ChEMBL. 21572541

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 21572541

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.