Detailed information for compound 1505135

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 428.443 | Formula: C23H20N6O3
  • H donors: 0 H acceptors: 2 LogP: 2.56 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)Cn1cnc2c1ncnc1c2nc(=O)n1Cc1ccc(cc1)OC
  • InChi: 1S/C23H20N6O3/c1-31-17-7-3-15(4-8-17)11-28-14-26-19-20-22(25-13-24-21(19)28)29(23(30)27-20)12-16-5-9-18(32-2)10-6-16/h3-10,13-14H,11-12H2,1-2H3
  • InChiKey: COUMZXFUZDBRCZ-UHFFFAOYSA-N  

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

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) Toxicity in SCID mouse assessed as histopathological examination of kidney at up to 500 mg/kg administered twice week for 7 weeks ChEMBL. 21572541
Activity (ADMET) Toxicity in SCID mouse assessed as histopathological examination of liver at up to 500 mg/kg administered twice week for 7 weeks ChEMBL. 21572541
Activity (ADMET) Toxicity in SCID mouse assessed as blood analysis at up to 500 mg/kg administered twice week for 7 weeks ChEMBL. 21572541
Activity (ADMET) Toxicity in SCID mouse assessed as histopathological examination of spleen at up to 500 mg/kg administered twice week for 7 weeks ChEMBL. 21572541
Activity (ADMET) Toxicity in SCID mouse assessed as histopathological examination of cerebellum-brain at up to 500 mg/kg administered twice week for 7 weeks ChEMBL. 21572541
Activity (ADMET) Toxicity in SCID mouse at up to 500 mg/kg administered twice week for 7 weeks ChEMBL. 21572541
Activity (functional) = 9.87 % Cell cycle arrest in human MCF7 cells assessed as accumulation at S phase at 3 uM after 24 hrs by flow cytometry relative to control ChEMBL. 21572541
Activity (functional) = 14.5 % Cell cycle arrest in human MCF7 cells assessed as accumulation at G2/M phase at 3 uM after 24 hrs by flow cytometry relative to control ChEMBL. 21572541
Activity (functional) = 79.15 % Cell cycle arrest in human MCF7 cells assessed as accumulation at G1 phase at 3 uM after 24 hrs by flow cytometry relative to control ChEMBL. 21572541
IC50 (functional) = 2.5 uM Cytotoxicity against human A549 cells after 72 hrs by WST1 assay ChEMBL. 21572541
IC50 (functional) = 2.8 uM Cytotoxicity against human H460 cells after 72 hrs by WST1 assay ChEMBL. 21572541
IC50 (functional) = 4.01 uM Cytotoxicity against human MDA-MB-231 cells after 72 hrs by WST1 assay ChEMBL. 21572541
IC50 (functional) = 4.8 uM Cytotoxicity against human PC3 cells after 72 hrs by WST1 assay ChEMBL. 21572541
IC50 (functional) = 4.9 uM Cytotoxicity against human PC3 cells after 72 hrs by WST1 assay ChEMBL. 23290252
IC50 (functional) = 7.5 uM Cytotoxicity against human MCF7 cells after 72 hrs by WST1 assay ChEMBL. 21572541
IC50 (functional) = 14.5 uM Cytotoxicity against human OVCAR3 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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