Detailed information for compound 36345

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 314.419 | Formula: C20H26O3
  • H donors: 0 H acceptors: 2 LogP: 2.16 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CC[C@@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2=O)C)C1OC1
  • InChi: 1S/C20H26O3/c1-19-8-7-16-14(15(19)4-5-17(19)22)3-2-12-10-13(21)6-9-20(12,16)18-11-23-18/h10,14-16,18H,2-9,11H2,1H3/t14?,15?,16?,18?,19-,20-/m0/s1
  • InChiKey: JJEROASYJCSDIU-AKYADPKGSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Echinococcus multilocularis FTZ F1 alpha 0.0025 0.0129 0.0255
Brugia malayi Hsp90 protein 0.0026 0.0155 0.0871
Brugia malayi Endoplasmin precursor 0.0065 0.0705 0.4421
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0025 0.0129 0.0255
Leishmania major heat shock protein 83-1 0.0065 0.0705 0.7982
Trichomonas vaginalis DNA polymerase delta catalytic subunit, putative 0.0025 0.0134 0.1344
Entamoeba histolytica hypothetical protein 0.0039 0.0335 0.2491
Brugia malayi PAN domain containing protein 0.002 0.0063 0.0273
Trypanosoma brucei heat shock protein, putative 0.0065 0.0705 0.7805
Echinococcus multilocularis aryl hydrocarbon receptor 0.0142 0.1825 0.3613
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0025 0.0129 0.0699
Onchocerca volvulus Putative endochitinase 0.0086 0.1012 0.5411
Echinococcus multilocularis calcium activated potassium channel 0.0045 0.0421 0.0833
Loa Loa (eye worm) hypothetical protein 0.0025 0.0129 0.0708
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0335 0.0664
Brugia malayi endochitinase 0.0086 0.1012 0.6398
Schistosoma mansoni amine oxidase 0.005 0.0494 0.1522
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0122 0.1528 0.9728
Echinococcus granulosus DNA polymerase zeta catalytic subunit 0.0025 0.0134 0.0265
Echinococcus granulosus calcium activated potassium channel variant 0.0042 0.0376 0.0744
Onchocerca volvulus 0.005 0.0494 0.2457
Loa Loa (eye worm) hypothetical protein 0.005 0.0494 0.2718
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0335 0.0862
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0026 0.0155 0.0528
Echinococcus multilocularis nuclear factor of activated T cells 5 0.008 0.0924 0.1829
Brugia malayi Endochitinase 0.0086 0.1012 0.6398
Trypanosoma cruzi heat shock protein 90, putative 0.0038 0.0324 0.3585
Trypanosoma cruzi Heat shock protein 83, putative 0.0065 0.0705 0.81
Plasmodium vivax heat shock protein 86, putative 0.0065 0.0705 0.4099
Echinococcus multilocularis potassium large conductance calcium activated 0.0045 0.0421 0.0833
Schistosoma mansoni Lysine-specific histone demethylase 1 0.005 0.0494 0.1522
Leishmania major heat shock protein 83-1 0.0065 0.0705 0.7982
Trypanosoma cruzi heat shock protein 90, putative 0.0065 0.0705 0.81
Plasmodium falciparum endoplasmin, putative 0.004 0.0345 0.1383
Loa Loa (eye worm) heat shock protein 90 0.0065 0.0705 0.3883
Brugia malayi PAN domain containing protein 0.002 0.0063 0.0273
Echinococcus granulosus ecdysone induced protein 78C 0.0025 0.0129 0.0255
Echinococcus granulosus aryl hydrocarbon receptor 0.0142 0.1825 0.3613
Brugia malayi DNA polymerase family B containing protein 0.0025 0.0134 0.0734
Loa Loa (eye worm) hypothetical protein 0.002 0.0063 0.0345
Loa Loa (eye worm) microfilarial chitinase 0.0075 0.0849 0.4673
Trypanosoma brucei heat shock protein, putative 0.0065 0.0705 0.7805
Brugia malayi PAN domain containing protein 0.002 0.0063 0.0273
Echinococcus multilocularis calcium activated potassium channel variant 0.0042 0.0376 0.0744
Trypanosoma brucei DNA polymerase delta catalytic subunit, putative 0.0076 0.0866 1
Loa Loa (eye worm) hypothetical protein 0.0122 0.1528 0.8409
Loa Loa (eye worm) hypothetical protein 0.0025 0.0129 0.0708
Toxoplasma gondii Hsp90 domain-containing protein 0.0026 0.0155 0.022
Schistosoma mansoni calcium-activated potassium channel 0.0045 0.0421 0.1218
Echinococcus granulosus DNA polymerase delta catalytic subunit 0.0076 0.0866 0.1715
Loa Loa (eye worm) hypothetical protein 0.002 0.0063 0.0345
Echinococcus multilocularis transfer RNA-Lys 0.0049 0.0476 0.0943
Onchocerca volvulus 0.0025 0.0129 0.0376
Loa Loa (eye worm) hypothetical protein 0.0054 0.0546 0.3005
Loa Loa (eye worm) heat shock protein 75 0.0026 0.0155 0.0855
Schistosoma mansoni cellular tumor antigen P53 0.0054 0.0546 0.1739
Trypanosoma brucei heat shock protein, putative 0.0065 0.0705 0.7805
Giardia lamblia Heat shock protein HSP 90-alpha 0.0051 0.0516 0.5213
Brugia malayi PAN domain containing protein 0.002 0.0063 0.0273
Leishmania major heat shock protein 83-1 0.0065 0.0705 0.7982
Onchocerca volvulus Putative endochitinase 0.0086 0.1012 0.5411
Leishmania major heat shock protein 83-1 0.0065 0.0705 0.7982
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.005 0.0494 0.1025
Echinococcus multilocularis ecdysone induced protein 78C 0.0025 0.0129 0.0255
Brugia malayi DNA polymerase family B, exonuclease domain containing protein 0.0025 0.0134 0.0734
Loa Loa (eye worm) hypothetical protein 0.0025 0.0129 0.0708
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.0025 0.0134 0.0265
Loa Loa (eye worm) hypothetical protein 0.0065 0.0716 0.394
Plasmodium vivax endoplasmin, putative 0.0065 0.0705 0.4099
Mycobacterium ulcerans chitinase/cellulase 0.0065 0.0716 0.0251
Onchocerca volvulus DNA polymerase alpha catalytic subunit homolog 0.0025 0.0134 0.0407
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.0025 0.0134 0.0265
Loa Loa (eye worm) hypothetical protein 0.002 0.0063 0.0345
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.005 0.0494 0.1522
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0025 0.0129 0.0699
Schistosoma mansoni aryl hydrocarbon receptor 0.0191 0.2528 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0025 0.0129 0.0255
Echinococcus multilocularis endoplasmin 0.0051 0.0516 0.1021
Entamoeba histolytica DNA polymerase delta catalytic subunit, putative 0.0076 0.0866 0.9827
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0025 0.0129 0.0255
Echinococcus granulosus tumor protein p63 0.0366 0.5051 1
Entamoeba histolytica hypothetical protein 0.0039 0.0335 0.2491
Mycobacterium ulcerans monoamine oxidase 0.005 0.0494 0.0018
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0018 0.0029 0.0057
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0025 0.0129 0.0255
Schistosoma mansoni single-minded 0.0066 0.0723 0.2478
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0025 0.0129 0.0699
Echinococcus granulosus nuclear factor of activated T cells 5 0.008 0.0924 0.1829
Echinococcus granulosus lysine specific histone demethylase 1A 0.005 0.0494 0.0978
Leishmania major DNA polymerase epsilon catalytic subunit, putative 0.0025 0.0134 0.1325
Plasmodium vivax heat shock protein, putative 0.0026 0.0155 0.0153
Plasmodium vivax protoporphyrinogen oxidase, putative 0.005 0.0494 0.2581
Trypanosoma cruzi UDP-galactopyranose mutase 0.005 0.0494 0.5598
Toxoplasma gondii PAN domain-containing protein 0.0312 0.4266 1
Trichomonas vaginalis heat shock protein, putative 0.0051 0.0516 0.5856
Echinococcus multilocularis heat shock protein 90 0.0051 0.0516 0.1021
Giardia lamblia Heat shock protein HSP 90-alpha 0.0065 0.0705 0.7805
Mycobacterium ulcerans oxidoreductase 0.005 0.0494 0.0018
Brugia malayi SWIRM domain containing protein 0.005 0.0494 0.3055
Giardia lamblia DNA polymerase delta, catalytic subunit 0.0076 0.0866 1
Trichomonas vaginalis heat shock protein, putative 0.0051 0.0516 0.5856
Entamoeba histolytica hypothetical protein 0.0039 0.0335 0.2491
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0025 0.0134 0.0022
Schistosoma mansoni heat shock protein 0.0065 0.0705 0.2404
Loa Loa (eye worm) steroid hormone receptor 0.0025 0.0129 0.0708
Brugia malayi PAS domain containing protein 0.0066 0.0723 0.4536
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0025 0.0134 0.1344
Schistosoma mansoni endoplasmin 0.0065 0.0705 0.2404
Trypanosoma cruzi DNA polymerase I alpha catalytic subunit, putative 0.0025 0.0134 0.1344
Echinococcus multilocularis thyroid hormone receptor alpha 0.0025 0.0129 0.0255
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0122 0.1528 0.3025
Trichomonas vaginalis DNA polymerase zeta catalytic subunit, putative 0.0076 0.0866 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0494 0.2718
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0025 0.0134 0.1344
Trichomonas vaginalis heat shock protein, putative 0.004 0.0345 0.384
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0026 0.0155 0.0308
Echinococcus granulosus FTZ F1 alpha 0.0025 0.0129 0.0255
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0122 0.1528 0.3025
Loa Loa (eye worm) hypothetical protein 0.0025 0.0129 0.0708
Loa Loa (eye worm) hypothetical protein 0.005 0.0494 0.2718
Echinococcus granulosus single minded 2 0.0049 0.0476 0.0943
Toxoplasma gondii hypothetical protein 0.0122 0.1528 0.3485
Leishmania major heat shock protein 83-1 0.0065 0.0705 0.7982
Brugia malayi bHLH-PAS transcription factor 0.0049 0.0476 0.2943
Schistosoma mansoni heat shock protein 0.0065 0.0705 0.2404
Brugia malayi heat shock protein 90 0.0065 0.0705 0.4421
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0025 0.0129 0.0699
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.005 0.0494 0.2466
Schistosoma mansoni hypothetical protein 0.0039 0.0335 0.0862
Loa Loa (eye worm) hypothetical protein 0.0025 0.0134 0.0738
Loa Loa (eye worm) hypothetical protein 0.0122 0.1528 0.8409
Plasmodium vivax hypothetical protein, conserved 0.005 0.0494 0.2581
Loa Loa (eye worm) endoplasmin 0.0065 0.0705 0.3883
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0025 0.0129 0.0255
Leishmania major DNA polymerase delta catalytic subunit, putative 0.0076 0.0866 0.9854
Onchocerca volvulus 0.0054 0.0546 0.2755
Plasmodium vivax DNA polymerase delta catalytic subunit, putative 0.0076 0.0866 0.5252
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0025 0.0129 0.0255
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0025 0.0129 0.0255
Mycobacterium ulcerans protoporphyrinogen oxidase 0.005 0.0494 0.0018
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0025 0.0129 0.0708
Schistosoma mansoni heat shock protein 0.0026 0.0155 0.0111
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.071 1 1
Onchocerca volvulus DNA polymerase epsilon catalytic subunit A homolog 0.0025 0.0134 0.0407
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0025 0.0129 0.0699
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0025 0.0129 0.0699
Mycobacterium ulcerans chitinase/cellulase 0.0065 0.0716 0.0251
Echinococcus granulosus heat shock protein 90 0.0051 0.0516 0.1021
Loa Loa (eye worm) hypothetical protein 0.0125 0.157 0.8641
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0051 0.0516 0.1021
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0076 0.0866 1
Onchocerca volvulus Putative endochitinase 0.0077 0.0878 0.4651
Trichomonas vaginalis heat shock protein, putative 0.0026 0.0155 0.1596
Entamoeba histolytica heat shock protein 90, putative 0.0065 0.0705 0.7606
Leishmania major heat shock protein 83-1 0.0065 0.0705 0.7982
Brugia malayi amine oxidase, flavin-containing family protein 0.005 0.0494 0.3055
Plasmodium vivax hypothetical protein, conserved 0.0122 0.1528 1
Leishmania major DNA polymerase I alpha catalytic subunit, putative 0.0025 0.0134 0.1325
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0025 0.0129 0.0699
Brugia malayi PAN domain containing protein 0.002 0.0063 0.0273
Brugia malayi PAN domain containing protein 0.002 0.0063 0.0273
Toxoplasma gondii DNA polymerase 0.0076 0.0866 0.1911
Loa Loa (eye worm) cuticular endochitinase 0.0077 0.0878 0.4836
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.005 0.0494 0.9559
Echinococcus multilocularis DNA polymerase delta catalytic subunit 0.0076 0.0866 0.1715
Treponema pallidum heat shock protein 90 0.0051 0.0516 0.5
Leishmania major heat shock protein 83-1 0.0065 0.0705 0.7982
Brugia malayi PAN domain containing protein 0.002 0.0063 0.0273
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0051 0.0516 1
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0125 0.157 1
Leishmania major UDP-galactopyranose mutase 0.005 0.0494 0.5516
Brugia malayi PAN domain containing protein 0.002 0.0063 0.0273
Loa Loa (eye worm) MaxiK calcium-activated potassium channel 0.003 0.0204 0.112
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0118 0.1481 0.2932
Leishmania major heat shock protein 83-1 0.0065 0.0705 0.7982
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0025 0.0129 0.0708
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0025 0.0129 0.0708
Schistosoma mansoni calcium-activated potassium channel 0.0042 0.0376 0.1029
Onchocerca volvulus 0.0122 0.1528 0.8353
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0025 0.0129 0.0255
Loa Loa (eye worm) PAN domain-containing protein 0.002 0.0063 0.0345
Loa Loa (eye worm) PAN domain-containing protein 0.002 0.0063 0.0345
Onchocerca volvulus 0.0142 0.1817 1
Toxoplasma gondii heat shock protein 75, putative 0.0026 0.0155 0.022
Schistosoma mansoni retinoic acid receptor RXR 0.0131 0.1668 0.6418
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0025 0.0134 0.1344
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0062 0.0666 0.7634
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0051 0.0516 0.0025
Mycobacterium ulcerans dehydrogenase 0.005 0.0494 0.0018
Echinococcus multilocularis DNA polymerase zeta catalytic subunit 0.0025 0.0134 0.0265
Plasmodium falciparum protoporphyrinogen oxidase 0.005 0.0494 0.2466
Trichomonas vaginalis endoplasmin, putative 0.004 0.0345 0.384
Entamoeba histolytica hypothetical protein 0.0039 0.0335 0.2491
Toxoplasma gondii heat shock protein HSP90 0.0065 0.0705 0.1529
Trypanosoma brucei heat shock protein, putative 0.0065 0.0705 0.7805
Loa Loa (eye worm) PAN domain-containing protein 0.002 0.0063 0.0345
Echinococcus granulosus calcium activated potassium channel 0.0045 0.0421 0.0833
Schistosoma mansoni DNA polymerase epsilon catalytic subunit 0.0025 0.0134 0.0022
Plasmodium falciparum heat shock protein 90 0.0065 0.0705 0.4008
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.005 0.0494 0.2581
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0025 0.0129 0.0255
Loa Loa (eye worm) hypothetical protein 0.0142 0.1817 1
Leishmania major heat shock protein 83-1 0.0065 0.0705 0.7982
Leishmania major heat shock protein, putative 0.0026 0.0155 0.1573
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0335 0.0664
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0025 0.0129 0.0699
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0025 0.0129 0.0699
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0018 0.0029 0.0057
Loa Loa (eye worm) hypothetical protein 0.002 0.0063 0.0345
Trypanosoma brucei heat shock protein 84, putative 0.0026 0.0155 0.0291
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0025 0.0129 0.0255
Echinococcus multilocularis 0.005 0.0494 0.0978
Trypanosoma cruzi heat shock protein 85, putative 0.0051 0.0516 0.5856
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0131 0.1668 0.3303
Trypanosoma brucei heat shock protein, putative 0.0065 0.0705 0.7805
Loa Loa (eye worm) hypothetical protein 0.0025 0.0129 0.0708
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0025 0.0129 0.0376
Leishmania major heat shock protein 83-1 0.0065 0.0705 0.7982
Loa Loa (eye worm) hypothetical protein 0.0017 0.002 0.0112
Plasmodium vivax hypothetical protein, conserved 0.005 0.0494 0.2581
Loa Loa (eye worm) hypothetical protein 0.002 0.0063 0.0345
Brugia malayi nuclear hormone receptor 0.0025 0.0129 0.0699
Brugia malayi steroid hormone receptor 0.0025 0.0129 0.0699
Brugia malayi Nuclear hormone receptor-like 1 0.0025 0.0129 0.0699
Trichomonas vaginalis DNA polymerase II, putative 0.0025 0.0134 0.1344
Loa Loa (eye worm) hypothetical protein 0.005 0.0494 0.2718
Schistosoma mansoni endoplasmin 0.0065 0.0705 0.2404
Toxoplasma gondii histone lysine-specific demethylase 0.005 0.0494 0.1025
Schistosoma mansoni DNA polymerase delta catalytic subunit 0.0076 0.0866 0.3073
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0025 0.0129 0.0699
Loa Loa (eye worm) hypothetical protein 0.005 0.0494 0.2718
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.066 0.928 1
Schistosoma mansoni DNA polymerase zeta catalytic subunit 0.0025 0.0134 0.0022
Trypanosoma cruzi heat shock protein 90, putative 0.0051 0.0516 0.5856
Toxoplasma gondii DNA polymerase (pol2) superfamily protein 0.0025 0.0134 0.017
Echinococcus granulosus heat shock protein 0.0065 0.0705 0.1396
Echinococcus granulosus dna polymerase epsilon catalytic subunit a 0.0025 0.0134 0.0265
Brugia malayi PAN domain containing protein 0.002 0.0063 0.0273
Trichomonas vaginalis heat shock protein, putative 0.0051 0.0516 0.5856
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0025 0.0129 0.0708
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0018 0.0029 0.0157
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0025 0.0129 0.0255
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0025 0.0129 0.0699
Entamoeba histolytica chitinase, putative 0.0077 0.0878 1
Trypanosoma brucei heat shock protein 90, putative 0.0065 0.0705 0.7805
Brugia malayi DNA polymerase alpha catalytic subunit 0.0025 0.0134 0.0734
Echinococcus multilocularis heat shock protein 90 0.0065 0.0705 0.1396
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0025 0.0129 0.0708
Plasmodium vivax heat shock protein 90, putative 0.0026 0.0155 0.0153
Leishmania major heat shock protein 83-1 0.0065 0.0705 0.7982
Leishmania major heat shock protein 83-1 0.0065 0.0705 0.7982
Entamoeba histolytica heat shock protein 90, putative 0.0065 0.0705 0.7606
Brugia malayi ecdysteroid receptor 0.0025 0.0129 0.0699
Trypanosoma brucei heat shock protein 90, putative 0.0065 0.0705 0.7805
Schistosoma mansoni hypothetical protein 0.0122 0.1528 0.5831
Loa Loa (eye worm) chitinase I 0.0077 0.0878 0.4836
Brugia malayi PAN domain containing protein 0.002 0.0063 0.0273
Trichomonas vaginalis heat shock protein, putative 0.0065 0.0705 0.81
Loa Loa (eye worm) hypothetical protein 0.003 0.0204 0.112
Chlamydia trachomatis protoporphyrinogen oxidase 0.005 0.0494 1
Leishmania major heat shock protein 83-1 0.0065 0.0705 0.7982
Plasmodium falciparum conserved protein, unknown function 0.0122 0.1528 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.005 0.0494 0.0978
Echinococcus multilocularis lysine specific histone demethylase 1A 0.005 0.0494 0.0978
Loa Loa (eye worm) large conductance calcium-activated potassium channel alpha subunit ai 0.0042 0.0376 0.2068
Loa Loa (eye worm) hypothetical protein 0.0025 0.0129 0.0708
Onchocerca volvulus 0.0122 0.1528 0.8353
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0051 0.0516 0.5
Loa Loa (eye worm) DNA-directed DNA polymerase III 0.0076 0.0866 0.4767
Giardia lamblia Grp94/Hsp90 0.0051 0.0516 0.5213
Toxoplasma gondii PAN domain-containing protein 0.0312 0.4266 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0063 0.0345
Schistosoma mansoni amine oxidase 0.005 0.0494 0.1522
Echinococcus multilocularis heat shock protein 0.0065 0.0705 0.1396
Echinococcus multilocularis protoporphyrinogen oxidase 0.005 0.0494 0.0978
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0025 0.0129 0.0699
Trypanosoma brucei Heat shock protein 83, putative 0.0065 0.0705 0.7805
Leishmania major heat shock protein 83-1 0.0065 0.0705 0.7982
Trypanosoma cruzi heat shock protein, putative 0.0026 0.0155 0.1596
Brugia malayi DNA polymerase delta catalytic subunit 0.0076 0.0866 0.5457
Brugia malayi endochitinase 0.0077 0.0878 0.5538
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0025 0.0129 0.0708
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.005 0.0494 0.2466
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0051 0.0516 0.5771
Leishmania major heat shock protein 83-1 0.0065 0.0705 0.7982
Loa Loa (eye worm) hypothetical protein 0.0025 0.0129 0.0708
Loa Loa (eye worm) hypothetical protein 0.005 0.0494 0.2718
Trypanosoma cruzi heat shock protein 85, putative 0.0065 0.0705 0.81
Trypanosoma cruzi heat shock protein 85, putative 0.0065 0.0705 0.81
Onchocerca volvulus Putative endochitinase 0.0077 0.0878 0.4651
Brugia malayi hypothetical protein 0.0039 0.0335 0.2033
Echinococcus multilocularis dna polymerase epsilon catalytic subunit a 0.0025 0.0134 0.0265
Loa Loa (eye worm) hypothetical protein 0.0025 0.0129 0.0708
Onchocerca volvulus Bile acid receptor homolog 0.0025 0.0129 0.0376
Leishmania major heat shock protein 83-1 0.0065 0.0705 0.7982
Mycobacterium ulcerans heat shock protein 90 0.0051 0.0516 0.0041
Onchocerca volvulus 0.0049 0.0485 0.2406
Loa Loa (eye worm) hypothetical protein 0.0125 0.1578 0.8686
Loa Loa (eye worm) hypothetical protein 0.002 0.0063 0.0345
Brugia malayi Large-conductance calcium-activated potassium channel Slo-1 (KCNMA) alpha subunit. C. elegans slo-1 ortholog 0.003 0.0204 0.1182
Onchocerca volvulus Protein ultraspiracle homolog 0.0025 0.0129 0.0376
Onchocerca volvulus Putative endochitinase 0.0086 0.1012 0.5411
Leishmania major chitinase 0.0077 0.0878 1
Leishmania major heat shock protein 83-1 0.0065 0.0705 0.7982
Trypanosoma cruzi heat shock protein 85, putative 0.0065 0.0705 0.81
Trypanosoma brucei heat shock protein, putative 0.0065 0.0705 0.7805
Loa Loa (eye worm) PAN domain-containing protein 0.002 0.0063 0.0345
Echinococcus granulosus potassium large conductance calcium activated 0.0045 0.0421 0.0833
Plasmodium falciparum DNA polymerase delta catalytic subunit 0.0076 0.0866 0.5178
Trypanosoma brucei heat shock protein, putative 0.0065 0.0705 0.7805
Brugia malayi photoreceptor-specific nuclear receptor 0.0025 0.0129 0.0699
Echinococcus multilocularis tumor protein p63 0.0366 0.5051 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0025 0.0129 0.0699
Mycobacterium tuberculosis Possible chitinase 0.0065 0.0716 0.0253
Brugia malayi hypothetical protein 0.005 0.0494 0.3055
Toxoplasma gondii DNA polymerase family B protein 0.0025 0.0134 0.017
Echinococcus granulosus heat shock protein 90 0.0065 0.0705 0.1396
Loa Loa (eye worm) PAN domain-containing protein 0.002 0.0063 0.0345
Brugia malayi Steroid receptor seven-up type 2 0.0025 0.0129 0.0699
Trypanosoma cruzi UDP-galactopyranose mutase 0.005 0.0494 0.5598
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0026 0.0155 0.0308
Echinococcus granulosus endoplasmin 0.0051 0.0516 0.1021
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0025 0.0129 0.0708
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0025 0.0134 0.1344
Onchocerca volvulus DNA polymerase homolog 0.0025 0.0134 0.0407
Toxoplasma gondii heat shock protein 90, putative 0.0065 0.0705 0.1529
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0025 0.0129 0.0255
Trypanosoma brucei heat shock protein, putative 0.0065 0.0705 0.7805
Onchocerca volvulus DNA polymerase delta catalytic subunit homolog 0.0076 0.0866 0.458
Brugia malayi nuclear receptor NHR-88 0.0025 0.0129 0.0699

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 7 nM Inhibition of human placental Cytochrome P450 19A1 ChEMBL. 2016709
Ki (binding) = 7 nM Inhibition of human placental Cytochrome P450 19A1 ChEMBL. 2016709
Ki (binding) = 7 nM Binding affinity of the compound was measured on Cytochrome P450 19A1 ChEMBL. 2231592

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

2 literature references were collected for this gene.

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