Detailed information for compound 925178

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 529.627 | Formula: C31H35N3O5
  • H donors: 2 H acceptors: 3 LogP: 6.5 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cc2cc(C(=O)NCCCCCCNc3c4CCCCc4nc4c3cccc4)c(=O)oc2cc1OC
  • InChi: 1S/C31H35N3O5/c1-37-27-18-20-17-23(31(36)39-26(20)19-28(27)38-2)30(35)33-16-10-4-3-9-15-32-29-21-11-5-7-13-24(21)34-25-14-8-6-12-22(25)29/h5,7,11,13,17-19H,3-4,6,8-10,12,14-16H2,1-2H3,(H,32,34)(H,33,35)
  • InChiKey: SZUGHTGZLWHQJO-UHFFFAOYSA-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 butyrylcholinesterase Starlite/ChEMBL References
Homo sapiens acetylcholinesterase (Yt blood group) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) acetylcholinesterase 1 Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) carboxylesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum ko:K01049 acetylcholinesterase [EC3.1.1.7], putative Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum Acetylcholinesterase 1 precursor, putative Get druggable targets OG5_126875 All targets in OG5_126875
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Carboxylesterase family protein acetylcholinesterase (Yt blood group) 614 aa 510 aa 26.5 %
Brugia malayi Carboxylesterase family protein butyrylcholinesterase 602 aa 546 aa 30.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0164 0.7378 0.7378
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0046 0.1011 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0861 0.0861
Loa Loa (eye worm) hypothetical protein 0.0039 0.0608 0.0608
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0046 0.1011 1
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0046 0.1011 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0039 0.0608 0.2048
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0046 0.1011 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0608 0.0608
Mycobacterium leprae Conserved hypothetical protein 0.0046 0.1011 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0082 0.2969 0.2969
Brugia malayi ecdysone receptor 0.0039 0.0608 0.0608
Brugia malayi steroid hormone receptor 0.0082 0.2969 0.2969
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0082 0.2969 0.2969
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0046 0.1011 1
Schistosoma mansoni nuclear receptor 0.0039 0.0608 0.0824
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0082 0.2969 0.2969
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0046 0.1011 1
Schistosoma mansoni RAR-like nuclear receptor 0.0082 0.2969 0.4024
Brugia malayi Nuclear hormone receptor-like 1 0.0082 0.2969 0.2969
Brugia malayi nuclear receptor RXR 0.0039 0.0608 0.0608
Echinococcus granulosus cytochrome P450 2K1 0.0046 0.1011 0.137
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0046 0.1011 1
Brugia malayi Cytochrome P450 family protein 0.0046 0.1011 0.1011
Schistosoma mansoni coup transcription factor 0.0082 0.2969 0.4024
Loa Loa (eye worm) cytochrome P450 0.0046 0.1011 0.1011
Schistosoma mansoni nuclear hormone receptor 0.0082 0.2969 0.4024
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0046 0.1011 1
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0046 0.1011 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0044 0.0861 0.1167
Onchocerca volvulus Bile acid receptor homolog 0.0082 0.2969 1
Brugia malayi hypothetical protein 0.0039 0.0608 0.0608
Brugia malayi Steroid receptor seven-up type 2 0.0082 0.2969 0.2969
Loa Loa (eye worm) hypothetical protein 0.0039 0.0608 0.0608
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0046 0.1011 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.2969 0.2969
Loa Loa (eye worm) hypothetical protein 0.0039 0.0608 0.0608
Loa Loa (eye worm) hypothetical protein 0.0039 0.0608 0.0608
Brugia malayi nuclear receptor NHR-67 0.0039 0.0608 0.0608
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0082 0.2969 0.2969
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0042 0.0758 0.1028
Brugia malayi orphan nuclear receptor NR2E1 0.0039 0.0608 0.0608
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0039 0.0608 0.0824
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0082 0.2969 0.4024
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0082 0.2969 0.2969
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0042 0.0758 0.0758
Brugia malayi Carboxylesterase family protein 0.0164 0.7378 0.7378
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0046 0.1011 1
Schistosoma mansoni nuclear receptor nhr-48 0.0039 0.0608 0.0824
Brugia malayi conserved hypotetical protein 0.0039 0.0608 0.0608
Loa Loa (eye worm) steroid hormone receptor 0.0082 0.2969 0.2969
Loa Loa (eye worm) nuclear receptor NHR-67 0.0039 0.0608 0.0608
Loa Loa (eye worm) hypothetical protein 0.0039 0.0608 0.0608
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0046 0.1011 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0608 0.0608
Onchocerca volvulus Protein ultraspiracle homolog 0.0082 0.2969 1
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0046 0.1011 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0082 0.2969 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0046 0.1011 1
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0046 0.1011 1
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0046 0.1011 1
Brugia malayi Nuclear hormone receptor E75 0.0039 0.0608 0.0608
Brugia malayi Cytochrome P450 family protein 0.0046 0.1011 0.1011
Brugia malayi Cytochrome P450 family protein 0.0046 0.1011 0.1011
Brugia malayi nuclear hormone receptor 0.0082 0.2969 0.2969
Loa Loa (eye worm) carboxylesterase 0.0164 0.7378 0.7378
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0039 0.0608 0.0824
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0082 0.2969 0.2969
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0039 0.0608 0.0824
Loa Loa (eye worm) hypothetical protein 0.0082 0.2969 0.2969
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0046 0.1011 1
Echinococcus granulosus ecdysone induced protein 78C 0.0082 0.2969 0.4024
Brugia malayi nuclear receptor RXR 0.0044 0.0861 0.0861
Mycobacterium leprae putative cytochrome p450 0.0046 0.1011 0.5
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0039 0.0608 0.0824
Loa Loa (eye worm) hypothetical protein 0.0164 0.7378 0.7378
Schistosoma mansoni nuclear hormone receptor 0.0039 0.0608 0.0824
Loa Loa (eye worm) acetylcholinesterase 1 0.0164 0.7378 0.7378
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0082 0.2969 0.4024
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0082 0.2969 0.2969
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0082 0.2969 0.2969
Schistosoma mansoni cytochrome P450 0.0046 0.1011 0.137
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.0966 0.1309
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0046 0.1011 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0039 0.0608 0.0824
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.0966 0.1309
Loa Loa (eye worm) hypothetical protein 0.0082 0.2969 0.2969
Loa Loa (eye worm) hypothetical protein 0.0044 0.0861 0.0861
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0046 0.1011 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0164 0.7378 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0082 0.2969 0.2969
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0039 0.0608 0.0824
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0046 0.1011 1
Brugia malayi nuclear receptor NHR-88 0.0039 0.0608 0.0608
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0046 0.1011 1
Brugia malayi nuclear hormone receptor 0.0039 0.0608 0.0608
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0039 0.0608 0.0608
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0082 0.2969 0.2969
Brugia malayi nuclear hormone receptor family member nhr-6 0.0039 0.0608 0.0608
Loa Loa (eye worm) cytochrome P450 family protein 0.0046 0.1011 0.1011
Schistosoma mansoni thyroid hormone receptor 0.0082 0.2969 0.4024
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0082 0.2969 0.4024
Echinococcus granulosus Nuclear hormone receptor HR96 0.0039 0.0608 0.0824
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0082 0.2969 0.4024
Onchocerca volvulus 0.0039 0.0608 0.2048
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0046 0.1011 0.5
Schistosoma mansoni zinc finger protein 0.0039 0.0608 0.0824
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0082 0.2969 0.2969
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0039 0.0608 0.0824
Brugia malayi tailless protein 0.0039 0.0608 0.0608
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0046 0.1011 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0082 0.2969 0.4024
Echinococcus granulosus Nuclear hormone receptor HR96 0.0039 0.0608 0.0824
Loa Loa (eye worm) hypothetical protein 0.0039 0.0608 0.0608
Brugia malayi Carboxylesterase family protein 0.0164 0.7378 0.7378
Leishmania major cytochrome p450-like protein 0.0046 0.1011 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0082 0.2969 0.4024
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0082 0.2969 0.2969
Loa Loa (eye worm) hypothetical protein 0.0082 0.2969 0.2969
Brugia malayi hypothetical protein 0.0044 0.0861 0.0861
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0039 0.061 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0039 0.0608 0.0824
Brugia malayi nuclear receptor NHR-88 0.0082 0.2969 0.2969
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0082 0.2969 0.4024
Loa Loa (eye worm) hypothetical protein 0.0039 0.0608 0.0608
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0082 0.2969 0.4024
Brugia malayi Nuclear hormone receptor E75 0.0039 0.0608 0.0608
Trypanosoma cruzi cytochrome P450, putative 0.0046 0.1011 0.5
Brugia malayi ecdysteroid receptor 0.0082 0.2969 0.2969
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0082 0.2969 0.4024
Loa Loa (eye worm) hypothetical protein 0.0039 0.0608 0.0608
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0044 0.0861 0.0861
Loa Loa (eye worm) hypothetical protein 0.0039 0.0608 0.0608
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0046 0.1011 1
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0046 0.1011 1
Toxoplasma gondii cytochrome p450 superfamily protein 0.0046 0.1011 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.0608 0.0608
Loa Loa (eye worm) DR-78 0.0039 0.0608 0.0608
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0039 0.0608 0.0824
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0039 0.0608 0.2048
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0082 0.2969 0.4024
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0042 0.0758 0.0758
Loa Loa (eye worm) hypothetical protein 0.0044 0.0861 0.0861
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0046 0.1011 0.5
Loa Loa (eye worm) hypothetical protein 0.0082 0.2969 0.2969
Brugia malayi hypothetical protein 0.0044 0.0861 0.0861
Loa Loa (eye worm) hypothetical protein 0.0082 0.2969 0.2969
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0082 0.2969 0.4024
Brugia malayi Nuclear hormone receptor-like 1 0.0044 0.0861 0.0861
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0039 0.0608 0.0824
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0046 0.1011 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0082 0.2969 0.4024
Echinococcus granulosus acetylcholinesterase 0.0164 0.7378 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0082 0.2969 0.2969
Schistosoma mansoni nuclear hormone receptor 0.0039 0.0608 0.0824
Echinococcus granulosus nuclear receptor nhr 48 0.0039 0.0608 0.0824
Schistosoma mansoni thyroid hormone receptor 0.0082 0.2969 0.4024
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0046 0.1011 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0082 0.2969 0.4024
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0046 0.1011 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.0608 0.0608
Onchocerca volvulus 0.0082 0.2969 1
Echinococcus multilocularis carboxylesterase 5A 0.0164 0.7378 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0039 0.0608 0.0608
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0046 0.1011 1
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0046 0.1011 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0082 0.2969 0.4024
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0082 0.2969 0.4024
Loa Loa (eye worm) cytochrome P450 family protein 0.0212 1 1
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0046 0.1011 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0039 0.0608 0.0824
Brugia malayi hypothetical protein 0.0039 0.0608 0.0608
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0046 0.1011 1
Echinococcus multilocularis acetylcholinesterase 0.0164 0.7378 1
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0046 0.1011 1
Onchocerca volvulus 0.0039 0.0608 0.2048
Leishmania major cytochrome p450-like protein 0.0046 0.1011 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0082 0.2969 0.4024
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0044 0.0861 0.1167
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0042 0.0758 0.1028
Trypanosoma cruzi cytochrome P450, putative 0.0046 0.1011 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0046 0.1011 0.1011
Schistosoma mansoni nuclear receptor 0.0039 0.0608 0.0824
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0046 0.1011 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0046 0.1011 0.5
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0046 0.1011 1
Echinococcus granulosus FTZ F1 alpha 0.0082 0.2969 0.4024
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0046 0.1011 1
Brugia malayi cytochrome P450 0.0046 0.1011 0.1011
Echinococcus multilocularis ecdysone induced protein 78C 0.0082 0.2969 0.4024
Loa Loa (eye worm) hypothetical protein 0.0082 0.2969 0.2969
Echinococcus multilocularis thyroid hormone receptor alpha 0.0082 0.2969 0.4024
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0082 0.2969 0.2969
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0082 0.2969 0.4024
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0039 0.061 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0082 0.2969 0.2969
Loa Loa (eye worm) hypothetical protein 0.0044 0.0861 0.0861
Echinococcus granulosus carboxylesterase 5A 0.0164 0.7378 1
Schistosoma mansoni retinoic acid receptor RXR 0.0082 0.2969 0.4024
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0082 0.2969 0.2969
Loa Loa (eye worm) nuclear hormone receptor 0.0039 0.0608 0.0608
Schistosoma mansoni steroid hormone receptor ad4bp 0.0082 0.2969 0.4024
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0046 0.1011 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0046 0.1011 0.5
Schistosoma mansoni hypothetical protein 0.0046 0.1011 0.137
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0082 0.2969 0.4024
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0044 0.0861 0.1167
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0082 0.2969 0.2969
Leishmania major cytochrome p450-like protein 0.0046 0.1011 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0082 0.2969 0.2969
Echinococcus multilocularis acetylcholinesterase 0.0164 0.7378 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.2969 0.2969
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0044 0.0861 0.1167
Brugia malayi Nuclear hormone receptor-like 1 0.0044 0.0861 0.0861
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0082 0.2969 0.2969
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0046 0.1011 1
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0046 0.1011 1
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0046 0.1011 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0861 0.0861
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0082 0.2969 0.4024
Trypanosoma brucei cytochrome P450, putative 0.0046 0.1011 0.5
Brugia malayi nuclear hormone receptor family member odr-7 0.0039 0.0608 0.0608
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0046 0.1011 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0082 0.2969 0.2969
Echinococcus multilocularis 0.0046 0.1011 0.137
Loa Loa (eye worm) hypothetical protein 0.0036 0.046 0.046
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0082 0.2969 0.2969
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0046 0.1011 1
Loa Loa (eye worm) CYP4Cod1 0.0046 0.1011 0.1011
Echinococcus granulosus acetylcholinesterase 0.0164 0.7378 1
Echinococcus multilocularis FTZ F1 alpha 0.0082 0.2969 0.4024
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0046 0.1011 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 31.2 nM Inhibition of human BChE assessed as acetylthiocholine hydrolysis ChEMBL. 25088549
Ki (binding) = 56.1 nM Inhibition of human AChE assessed as acetylthiocholine hydrolysis ChEMBL. 25088549

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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