Detailed information for compound 311061

Basic information

Technical information
  • TDR Targets ID: 311061
  • Name: (8Z)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihy dro-5H-naphthalene-2-carbonitrile
  • MW: 235.284 | Formula: C15H13N3
  • H donors: 1 H acceptors: 2 LogP: 2.55 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc2c(c1)/C(=C\c1c[nH]cn1)/CCC2
  • InChi: 1S/C15H13N3/c16-8-11-4-5-12-2-1-3-13(15(12)6-11)7-14-9-17-10-18-14/h4-7,9-10H,1-3H2,(H,17,18)/b13-7-
  • InChiKey: QCSHDBFRWJERMU-QPEQYQDCSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (4Z)-4-(1H-imidazol-5-ylmethylene)tetralin-6-carbonitrile
  • (4Z)-4-(1H-imidazol-5-ylmethylene)-6-tetralincarbonitrile
  • (8Z)-8-(3H-imidazol-4-ylmethylidene)-6,7-dihydro-5H-naphthalene-2-carbonitrile
  • (4Z)-4-(3H-imidazol-4-ylmethylene)tetralin-6-carbonitrile
  • (4Z)-4-(3H-imidazol-4-ylmethylene)-6-tetralincarbonitrile
  • Imidazolylmethylenetetrahydronaphthalene 3b

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 19, subfamily A, polypeptide 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi cytochrome P450, putative cytochrome P450, family 19, subfamily A, polypeptide 1 503 aa 425 aa 18.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major alpha tubulin 0.0239 0.4792 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0066 0.1256 0.1256
Loa Loa (eye worm) tubulin beta-1 chain 0.0239 0.4792 1
Trypanosoma brucei hypothetical protein, conserved 0.0025 0.0426 0.0227
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0239 0.4792 1
Echinococcus granulosus cpg binding protein 0.0033 0.058 0.0517
Trypanosoma cruzi zeta tubulin, putative 0.0104 0.2029 0.3815
Brugia malayi alpha-tubulin 0.0239 0.4792 1
Trypanosoma cruzi tubulin delta chain 0.0104 0.2029 0.3815
Loa Loa (eye worm) alpha-tubulin 0.0239 0.4792 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.009 0.1747 0.1691
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0494 1 1
Loa Loa (eye worm) tubulin alpha 2 0.0135 0.2672 0.5476
Plasmodium falciparum tubulin delta chain, putative 0.0104 0.2029 0.3815
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0325 0.0468
Entamoeba histolytica tubulin alpha-1 chain 0.0239 0.4792 1
Entamoeba histolytica tubulin family protein 0.0239 0.4792 1
Trypanosoma brucei epsilon tubulin 0.0239 0.4792 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0239 0.4792 1
Loa Loa (eye worm) tubulin alpha chain 0.0239 0.4792 1
Toxoplasma gondii beta-1 tubulin, putative 0.0239 0.4792 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0239 0.4792 1
Schistosoma mansoni cpg binding protein 0.0033 0.058 0.058
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0104 0.2029 0.417
Loa Loa (eye worm) tubulin beta chain 0.0104 0.2029 0.4105
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0071 0.1368 0.2336
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.009 0.1747 0.3506
Loa Loa (eye worm) tubulin beta-4 chain 0.0239 0.4792 1
Leishmania major gamma-tubulin 0.0239 0.4792 1
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0025 0.0426 0.0594
Brugia malayi Tubulin alpha-2 chain 0.0239 0.4792 1
Echinococcus multilocularis beta tubulin 0.0239 0.4792 0.4757
Schistosoma mansoni cpg binding protein 0.0033 0.058 0.058
Echinococcus multilocularis hypothetical protein 0.0239 0.4792 0.4757
Echinococcus multilocularis tubulin delta chain 0.0104 0.2029 0.1975
Plasmodium falciparum LCCL domain-containing protein 0.0083 0.1596 0.2846
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0025 0.0426 0.0227
Leishmania major beta tubulin 0.0239 0.4792 1
Giardia lamblia Alpha-tubulin 0.0239 0.4792 1
Brugia malayi hypothetical protein 0.0083 0.1596 0.3184
Plasmodium falciparum alpha tubulin 1 0.0239 0.4792 1
Loa Loa (eye worm) tubulin alpha-2 chain 0.0239 0.4792 1
Echinococcus granulosus Tubulin beta 2C chain 0.0239 0.4792 0.4757
Schistosoma mansoni alpha tubulin 0.0239 0.4792 0.4792
Plasmodium falciparum alpha tubulin 2 0.0239 0.4792 1
Schistosoma mansoni tubulin subunit alpha 0.0239 0.4792 0.4792
Plasmodium vivax tubulin alpha chain, putative 0.0239 0.4792 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.1368 0.2336
Plasmodium vivax tubulin epsilon chain, putative 0.0239 0.4792 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0239 0.4792 1
Schistosoma mansoni hypothetical protein 0.0443 0.8951 0.8951
Leishmania major beta tubulin 0.0239 0.4792 1
Brugia malayi beta-tubulin, identical 0.0239 0.4792 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0239 0.4792 0.4757
Leishmania major alpha tubulin 0.0239 0.4792 1
Plasmodium vivax tubulin alpha chain, putative 0.0239 0.4792 1
Loa Loa (eye worm) hypothetical protein 0.0239 0.4792 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0104 0.2029 0.417
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0104 0.2029 1
Schistosoma mansoni tubulin subunit alpha 0.0239 0.4792 0.4792
Echinococcus granulosus tubulin beta 1 chain 0.0239 0.4792 0.4757
Trypanosoma brucei alpha tubulin 0.0239 0.4792 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0083 0.1596 0.154
Echinococcus multilocularis tubulin alpha 1C chain 0.0239 0.4792 0.4757
Echinococcus multilocularis tubulin alpha chain 0.0239 0.4792 0.4757
Echinococcus granulosus Polycystic kidney disease protein 0.0083 0.1596 0.154
Echinococcus multilocularis tubulin beta 1 chain 0.0239 0.4792 0.4757
Echinococcus multilocularis Tubulin alpha 1 chain 0.0239 0.4792 0.4757
Brugia malayi tubulin alpha-2 chain 0.0239 0.4792 1
Brugia malayi hypothetical protein 0.0083 0.1596 0.3184
Brugia malayi Tubulin beta-1 chain 0.0239 0.4792 1
Leishmania major beta tubulin 0.0239 0.4792 1
Entamoeba histolytica tubulin gamma chain 0.0239 0.4792 1
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0025 0.0426 0.0227
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0105 0.0039
Trichomonas vaginalis tubulin beta chain, putative 0.0239 0.4792 1
Trichomonas vaginalis tubulin beta chain, putative 0.0239 0.4792 1
Loa Loa (eye worm) alpha-tubulin 0.0239 0.4792 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0071 0.1368 0.2695
Trypanosoma brucei beta tubulin 0.0239 0.4792 1
Leishmania major alpha tubulin 0.0239 0.4792 1
Echinococcus multilocularis RUN 0.0083 0.1596 0.154
Schistosoma mansoni tubulin subunit beta 0.0104 0.2029 0.2029
Trypanosoma brucei beta tubulin 0.0239 0.4792 1
Giardia lamblia Beta tubulin 0.0239 0.4792 1
Entamoeba histolytica tubulin alpha chain, putative 0.0239 0.4792 1
Echinococcus granulosus Tubulin beta 2C chain 0.0239 0.4792 0.4757
Leishmania major beta tubulin 0.0239 0.4792 1
Echinococcus multilocularis tubulin alpha chain 0.0239 0.4792 0.4757
Plasmodium falciparum tubulin epsilon chain, putative 0.0239 0.4792 1
Leishmania major alpha tubulin 0.0239 0.4792 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0325 0.026
Schistosoma mansoni ap endonuclease 0.002 0.0325 0.0325
Echinococcus granulosus tubulin alpha 0.0239 0.4792 0.4757
Echinococcus granulosus Tubulin beta 2C chain 0.0239 0.4792 0.4757
Trichomonas vaginalis tubulin alpha chain, putative 0.0135 0.2672 0.5526
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0104 0.2029 0.3815
Schistosoma mansoni lipoxygenase 0.0345 0.6963 0.6963
Echinococcus multilocularis tubulin epsilon chain 0.0239 0.4792 0.4757
Leishmania major alpha tubulin 0.0239 0.4792 1
Toxoplasma gondii beta-tubulin, putative 0.0239 0.4792 1
Trypanosoma brucei beta tubulin 0.0239 0.4792 1
Schistosoma mansoni alpha tubulin 0.0239 0.4792 0.4792
Trichomonas vaginalis tubulin gamma chain, putative 0.0104 0.2029 0.417
Schistosoma mansoni alpha tubulin 0.0239 0.4792 0.4792
Trichomonas vaginalis tubulin beta-1 chain, putative 0.0104 0.2029 0.417
Trichomonas vaginalis tubulin beta chain, putative 0.0239 0.4792 1
Echinococcus multilocularis cpg binding protein 0.0033 0.058 0.0517
Echinococcus multilocularis tubulin gamma 1 chain 0.0239 0.4792 0.4757
Trichomonas vaginalis tubulin gamma chain, putative 0.0239 0.4792 1
Trypanosoma cruzi beta tubulin, putative 0.0239 0.4792 1
Trichomonas vaginalis tubulin, putative 0.0135 0.2672 0.5526
Onchocerca volvulus 0.009 0.1747 0.5654
Leishmania major beta tubulin 0.0239 0.4792 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0239 0.4792 0.4757
Leishmania major alpha tubulin 0.0239 0.4792 1
Schistosoma mansoni hypothetical protein 0.0083 0.1596 0.1596
Plasmodium falciparum tubulin beta chain 0.0239 0.4792 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0071 0.1368 0.1368
Leishmania major beta tubulin 0.0239 0.4792 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0067 0.0067
Echinococcus multilocularis tubulin alpha 3 chain 0.0239 0.4792 0.4757
Leishmania major alpha tubulin 0.0239 0.4792 1
Entamoeba histolytica tubulin family protein 0.0239 0.4792 1
Echinococcus granulosus tubulin alpha 3 chain 0.0239 0.4792 0.4757
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0325 0.0574
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.1368 0.2336
Echinococcus granulosus lipoxygenase domain containing protein 0.0083 0.1596 0.154
Schistosoma mansoni rab6-interacting 0.0083 0.1596 0.1596
Echinococcus multilocularis Tubulin beta 2C chain 0.0239 0.4792 0.4757
Schistosoma mansoni tubulin subunit beta 0.0239 0.4792 0.4792
Echinococcus multilocularis tubulin alpha chain 0.0239 0.4792 0.4757
Trichomonas vaginalis tubulin alpha chain, putative 0.0239 0.4792 1
Echinococcus multilocularis Polycystic kidney disease protein 0.0083 0.1596 0.154
Schistosoma mansoni tubulin subunit delta 0.0104 0.2029 0.2029
Echinococcus multilocularis beta tubulin 0.0239 0.4792 0.4757
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0025 0.0426 0.0594
Trypanosoma brucei tubulin delta chain 0.0104 0.2029 0.3815
Echinococcus multilocularis dnaJ subfamily B 0.0443 0.8951 0.8944
Trypanosoma cruzi zeta tubulin, putative 0.0104 0.2029 0.3815
Echinococcus multilocularis Tubulin beta 2C chain 0.0239 0.4792 0.4757
Trypanosoma brucei alpha tubulin 0.0239 0.4792 1
Leishmania major zeta tubulin, putative 0.0104 0.2029 0.3815
Schistosoma mansoni tubulin subunit beta 0.0239 0.4792 0.4792
Echinococcus multilocularis tubulin subunit beta 0.0239 0.4792 0.4757
Echinococcus granulosus tubulin alpha chain 0.0239 0.4792 0.4757
Plasmodium vivax tubulin gamma chain, putative 0.0239 0.4792 1
Leishmania major beta tubulin 0.0239 0.4792 1
Giardia lamblia Beta tubulin 0.0239 0.4792 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0083 0.1596 0.154
Leishmania major delta tubulin, putative 0.0104 0.2029 0.3815
Echinococcus granulosus tubulin alpha 3 chain 0.0239 0.4792 0.4757
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0135 0.2672 0.5476
Brugia malayi Doublecortin family protein 0.0083 0.1596 0.3184
Trypanosoma brucei epsilon tubulin 0.0239 0.4792 1
Loa Loa (eye worm) tubulin gamma chain 0.0239 0.4792 1
Trichomonas vaginalis conserved hypothetical protein 0.0104 0.2029 0.417
Leishmania major alpha tubulin 0.0239 0.4792 1
Trypanosoma brucei alpha tubulin 0.0239 0.4792 1
Echinococcus granulosus tubulin alpha 1C chain 0.0239 0.4792 0.4757
Trichomonas vaginalis tubulin beta chain, putative 0.0239 0.4792 1
Plasmodium vivax tubulin beta chain, putative 0.0239 0.4792 1
Leishmania major beta tubulin 0.0239 0.4792 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0135 0.2672 0.5526
Loa Loa (eye worm) beta-tubulin 0.0239 0.4792 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.1596 0.3181
Echinococcus granulosus alpha tubulin 0.0239 0.4792 0.4757
Echinococcus granulosus lipoxygenase domain containing protein 0.0083 0.1596 0.154
Trichomonas vaginalis tubulin beta chain, putative 0.0239 0.4792 1
Echinococcus granulosus tubulin gamma 1 chain 0.0239 0.4792 0.4757
Loa Loa (eye worm) hypothetical protein 0.0135 0.2672 0.5476
Leishmania major alpha tubulin 0.0239 0.4792 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0071 0.1368 0.131
Echinococcus granulosus tubulin alpha 1C chain 0.0239 0.4792 0.4757
Leishmania major alpha tubulin 0.0239 0.4792 1
Loa Loa (eye worm) tubulin alpha chain 0.0239 0.4792 1
Echinococcus granulosus tubulin alpha chain 0.0239 0.4792 0.4757
Plasmodium vivax delta tubulin, putative 0.0104 0.2029 0.3815
Loa Loa (eye worm) BEN-1 protein 0.0239 0.4792 1
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0025 0.0426 0.0594
Trypanosoma cruzi epsilon tubulin, putative 0.0239 0.4792 1
Schistosoma mansoni tubulin subunit beta 0.0239 0.4792 0.4792
Mycobacterium tuberculosis Cell division protein FtsZ 0.0104 0.2029 1
Leishmania major beta tubulin 0.0239 0.4792 1
Leishmania major beta tubulin 0.0239 0.4792 1
Schistosoma mansoni tubulin subunit beta 0.0239 0.4792 0.4792
Echinococcus granulosus tubulin delta chain 0.0104 0.2029 0.1975
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0325 0.0574
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0325 0.026
Echinococcus granulosus RUN 0.0083 0.1596 0.154
Brugia malayi Cell division protein ftsZ 0.0104 0.2029 0.4108
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0325 0.0473
Loa Loa (eye worm) tubulin beta-2A chain 0.0239 0.4792 1
Leishmania major beta tubulin 0.0239 0.4792 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0135 0.2672 0.5526
Brugia malayi Tubulin alpha-2 chain 0.0239 0.4792 1
Brugia malayi Tubulin alpha chain 0.0239 0.4792 1
Trypanosoma cruzi tubulin delta chain 0.0104 0.2029 0.3815
Trichomonas vaginalis tubulin alpha chain, putative 0.0239 0.4792 1
Onchocerca volvulus 0.0135 0.2672 1
Entamoeba histolytica hypothetical protein 0.0025 0.0426 0.0227
Echinococcus multilocularis tubulin alpha 1C chain 0.0239 0.4792 0.4757
Echinococcus multilocularis tubulin alpha chain 0.0239 0.4792 0.4757
Toxoplasma gondii histone lysine methyltransferase SET1 0.0059 0.1112 0.1762
Trichomonas vaginalis tubulin, putative 0.0239 0.4792 1
Mycobacterium leprae cell division protein FtsZ 0.0104 0.2029 1
Schistosoma mansoni cpg binding protein 0.0031 0.0544 0.0544
Schistosoma mansoni tubulin subunit epsilon 0.0239 0.4792 0.4792
Echinococcus granulosus beta tubulin 0.0239 0.4792 0.4757
Schistosoma mansoni rab6-interacting 0.0083 0.1596 0.1596
Leishmania major beta tubulin 0.0239 0.4792 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0071 0.1368 0.2336
Trichomonas vaginalis tubulin gamma chain, putative 0.0239 0.4792 1
Echinococcus granulosus tubulin alpha chain 0.0239 0.4792 0.4757
Echinococcus multilocularis tubulin subunit TubB 0.0239 0.4792 0.4757
Trypanosoma brucei beta tubulin 0.0239 0.4792 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0544 0.0936
Giardia lamblia Epsilon tubulin 0.0104 0.2029 0.3815
Brugia malayi Tubulin beta chain 0.0135 0.2672 0.5479
Echinococcus granulosus dnaJ subfamily B 0.0443 0.8951 0.8944
Echinococcus granulosus tubulin alpha chain 0.0239 0.4792 0.4757
Schistosoma mansoni tubulin subunit beta 0.0239 0.4792 0.4792
Echinococcus granulosus tubulin alpha chain 0.0239 0.4792 0.4757
Trypanosoma cruzi alpha tubulin, putative 0.0239 0.4792 1
Trichomonas vaginalis tubulin beta chain, putative 0.0135 0.2672 0.5526
Trichomonas vaginalis conserved hypothetical protein 0.0104 0.2029 0.417
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0025 0.0426 0.0227
Echinococcus granulosus beta tubulin 0.0239 0.4792 0.4757
Onchocerca volvulus 0.0083 0.1596 0.4945
Leishmania major alpha tubulin 0.0239 0.4792 1
Leishmania major alpha tubulin 0.0239 0.4792 1
Echinococcus granulosus L aminoadipate semialdehyde 0.009 0.1747 0.1691
Schistosoma mansoni loxhd1 0.0083 0.1596 0.1596
Onchocerca volvulus 0.0083 0.1596 0.4945
Leishmania major beta tubulin 0.0239 0.4792 1
Toxoplasma gondii alpha-tubulin I, putative 0.0239 0.4792 1
Toxoplasma gondii alpha tubulin TUBA1 0.0239 0.4792 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0239 0.4792 0.4757
Giardia lamblia Beta tubulin 0.0239 0.4792 1
Loa Loa (eye worm) tubulin alpha 2 0.0135 0.2672 0.5476
Trichomonas vaginalis tubulin beta chain, putative 0.0239 0.4792 1
Treponema pallidum cell division protein FtsZ 0.0104 0.2029 1
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0025 0.0426 0.5
Leishmania major beta tubulin 0.0239 0.4792 1
Trichomonas vaginalis tubulin, putative 0.0104 0.2029 0.417
Echinococcus granulosus Tubulin beta 2C chain 0.0239 0.4792 0.4757
Loa Loa (eye worm) hypothetical protein 0.009 0.1747 0.3503
Echinococcus multilocularis Tubulin alpha 1 chain 0.0239 0.4792 0.4757
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0071 0.1368 0.2699
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0239 0.4792 0.4757
Trypanosoma brucei epsilon tubulin 0.0239 0.4792 1
Echinococcus granulosus tubulin subunit beta 0.0239 0.4792 0.4757
Leishmania major beta tubulin 0.0239 0.4792 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0239 0.4792 0.4757
Loa Loa (eye worm) hypothetical protein 0.0104 0.2029 0.4105
Trichomonas vaginalis tubulin epsilon chain, putative 0.0239 0.4792 1
Brugia malayi tubulin alpha chain - mouse 0.0239 0.4792 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0105 0.0039
Trichomonas vaginalis tubulin beta chain, putative 0.0239 0.4792 1
Trypanosoma brucei zeta tubulin, putative 0.0104 0.2029 0.3815
Trypanosoma brucei tubulin gamma chain 0.0239 0.4792 1
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.009 0.1747 0.1747
Loa Loa (eye worm) tubulin beta chain 0.0239 0.4792 1
Echinococcus multilocularis tubulin alpha chain 0.0239 0.4792 0.4757
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0071 0.1368 0.131
Trypanosoma cruzi tubulin gamma chain 0.0239 0.4792 1
Trypanosoma brucei alpha tubulin 0.0239 0.4792 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0239 0.4792 1
Echinococcus granulosus peroxisome assembly protein 26 0.0239 0.4792 0.4757
Schistosoma mansoni ap endonuclease 0.002 0.0325 0.0325
Trichomonas vaginalis tubulin alpha chain, putative 0.0135 0.2672 0.5526
Echinococcus granulosus transcription factor Dp 1 0.0041 0.0754 0.0692
Plasmodium falciparum tubulin gamma chain 0.0239 0.4792 1
Leishmania major phosphopantetheinyl transferase-like protein 0.0025 0.0426 0.0227
Leishmania major epsilon tubulin, putative 0.0239 0.4792 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.1368 0.2336
Toxoplasma gondii beta tubulin 0.0239 0.4792 1
Schistosoma mansoni tubulin subunit beta 0.0239 0.4792 0.4792
Echinococcus multilocularis Tubulin beta 2C chain 0.0239 0.4792 0.4757
Schistosoma mansoni tubulin subunit alpha 0.0104 0.2029 0.2029
Trichomonas vaginalis tubulin epsilon chain, putative 0.0239 0.4792 1
Echinococcus multilocularis peroxisome assembly protein 26 0.0239 0.4792 0.4757
Brugia malayi Tubulin beta chain 0.0104 0.2029 0.4108
Giardia lamblia Delta tubulin 0.0104 0.2029 0.3815
Loa Loa (eye worm) hypothetical protein 0.0083 0.1596 0.3181
Loa Loa (eye worm) doublecortin family protein 0.0083 0.1596 0.3181
Echinococcus granulosus Tubulin alpha 1 chain 0.0239 0.4792 0.4757
Schistosoma mansoni tubulin subunit alpha 0.0239 0.4792 0.4792
Trypanosoma brucei beta tubulin 0.0239 0.4792 1
Giardia lamblia Alpha-tubulin 0.0239 0.4792 1
Leishmania major beta tubulin 0.0239 0.4792 1
Echinococcus multilocularis transcription factor Dp 1 0.0041 0.0754 0.0692
Trichomonas vaginalis tubulin, putative 0.0135 0.2672 0.5526
Echinococcus granulosus tubulin epsilon chain 0.0239 0.4792 0.4757
Brugia malayi Tubulin gamma chain 0.0239 0.4792 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0239 0.4792 0.4757
Schistosoma mansoni tubulin subunit gamma 0.0239 0.4792 0.4792
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0025 0.0426 0.0227
Brugia malayi CXXC zinc finger family protein 0.0031 0.0544 0.094
Giardia lamblia Gamma tubulin 0.0239 0.4792 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0104 0.2029 0.3815
Schistosoma mansoni polycystin 1-related 0.0083 0.1596 0.1596
Leishmania major beta tubulin 0.0239 0.4792 1
Plasmodium vivax multidomain scavenger receptor, putative 0.0083 0.1596 0.2846
Brugia malayi Tubulin alpha chain 0.0104 0.2029 0.4108
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0025 0.0426 0.0594
Mycobacterium ulcerans cell division protein FtsZ 0.0104 0.2029 1
Leishmania major beta tubulin 0.0239 0.4792 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0135 0.2672 0.5526
Trypanosoma cruzi epsilon tubulin, putative 0.0239 0.4792 1
Echinococcus granulosus tubulin subunit TubB 0.0239 0.4792 0.4757
Echinococcus multilocularis tubulin alpha 3 chain 0.0239 0.4792 0.4757
Echinococcus granulosus Tubulin beta 2C chain 0.0239 0.4792 0.4757
Trypanosoma brucei zeta tubulin 0.0104 0.2029 0.3815
Echinococcus multilocularis tubulin alpha 0.0239 0.4792 0.4757
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0025 0.0426 0.0594
Schistosoma mansoni lipoxygenase 0.0494 1 1
Echinococcus granulosus tubulin beta 4A class IVa 0.0239 0.4792 0.4757
Loa Loa (eye worm) tubulin alpha-3 chain 0.0104 0.2029 0.4105
Trypanosoma brucei alpha tubulin, putative 0.0135 0.2672 0.5254
Loa Loa (eye worm) BEN-1 protein 0.0239 0.4792 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) nM In vitro inhibition of [14C]-deoxycorticosterone binding to human cytochrome P450 11B1 expressed in hamster V79 MZh cells; nd= not determined ChEMBL. 15771425
IC50 (binding) 0 nM In vitro inhibition of [14C]-deoxycorticosterone binding to human cytochrome P450 11B1 expressed in hamster V79 MZh cells; nd= not determined ChEMBL. 15771425
IC50 (binding) 0 nM In vitro inhibition of [14C]-deoxycorticosterone binding to human cytochrome P450 11B2 expressed in hamster V79 MZh cells; nd= not determined ChEMBL. 15771425
IC50 (binding) = 0.81 uM In vitro inhibitory concentration against human placental cytochrome P450 19 with 2.5 uM testosterone ChEMBL. 15771425
IC50 (binding) = 0.81 uM In vitro inhibitory concentration against human placental cytochrome P450 19 with 2.5 uM testosterone ChEMBL. 15771425
Inhibition (binding) = 3 % In vitro inhibition against human placental cytochrome P450 17 expressed in Escherichia coli with 2.5 uM progesterone ChEMBL. 15771425
Inhibition (binding) = 3 % In vitro inhibition against human placental cytochrome P450 17 expressed in Escherichia coli with 2.5 uM progesterone ChEMBL. 15771425
Inhibition (binding) = 23 % In vitro inhibition of human cytochrome P450 11B2 expressed in S. pombe with 500 nM deoxycorticosterone ChEMBL. 15771425
Inhibition (binding) = 23 % In vitro inhibition of human cytochrome P450 11B2 expressed in S. pombe with 500 nM deoxycorticosterone ChEMBL. 15771425
Inhibition (binding) = 97 % In vitro inhibition against bovine cytochrome P450 11B with 200 uM corticosterone ChEMBL. 15771425
Inhibition (binding) = 97 % In vitro inhibition against bovine cytochrome P450 11B with 200 uM corticosterone ChEMBL. 15771425

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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

1 literature reference was collected for this gene.

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