Detailed information for compound 284175

Basic information

Technical information
  • TDR Targets ID: 284175
  • Name: 3-[(4-hydroxyphenyl)methyl]-1H-imidazole-2-th ione
  • MW: 206.264 | Formula: C10H10N2OS
  • H donors: 2 H acceptors: 1 LogP: 1.07 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1)Cn1cc[nH]c1=S
  • InChi: 1S/C10H10N2OS/c13-9-3-1-8(2-4-9)7-12-6-5-11-10(12)14/h1-6,13H,7H2,(H,11,14)
  • InChiKey: WVWZHFJGVDNBDA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-hydroxybenzyl)-4-imidazoline-2-thione
  • 1-(4-hydroxybenzyl)imidazole-2-thiol
  • 1-[(4-hydroxyphenyl)methyl]-3H-imidazole-2-thione
  • 1-(4-hydroxybenzyl)-3H-imidazole-2-thione
  • 95333-64-5
  • EU-0100585
  • Lopac-H-6892
  • NCGC00015512-01
  • 1-Hbit
  • Lopac0_000585

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Dopamine beta-hydroxylase Starlite/ChEMBL References
Bos taurus Dopamine beta-hydroxylase Starlite/ChEMBL References
Homo sapiens nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens Bloom syndrome, RecQ helicase-like Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens dopamine beta-hydroxylase (dopamine beta-monooxygenase) Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K00503 dopamine beta-monooxygenase [EC1.14.17.1], putative Get druggable targets OG5_129281 All targets in OG5_129281
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni dopamine-beta-monooxygenase Get druggable targets OG5_129281 All targets in OG5_129281
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni intermediate filament proteins 0.0033 0.0322 0.0286
Echinococcus multilocularis netrin receptor unc 5 0.0017 0.0142 0.0201
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0009 0.0037 0.5
Brugia malayi Pre-SET motif family protein 0.0251 0.2919 0.5526
Schistosoma mansoni DNA helicase recq5 0.0011 0.0062 0.0025
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0017 0.0142 0.0201
Brugia malayi Protein kinase domain containing protein 0.0017 0.0142 0.0201
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0322 0.0547
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0364 0.0328
Echinococcus multilocularis Ankyrin 0.0018 0.0143 0.0204
Onchocerca volvulus 0.0036 0.0364 0.0695
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0011 0.0062 0.0048
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0009 0.0037 0.5
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0099 0.4933
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.3255 0.6172
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0009 0.0037 0.5
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0009 0.0037 0.5
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0062 0.0048
Loa Loa (eye worm) hypothetical protein 0.0032 0.0315 0.0533
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0163 0.0241
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0011 0.0062 0.0048
Echinococcus multilocularis bloom syndrome protein 0.0026 0.0241 0.0392
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0143 0.0203
Brugia malayi follicle stimulating hormone receptor 0.028 0.3255 0.6172
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0017 0.0142 0.0201
Schistosoma mansoni netrin receptor unc5 0.0017 0.0142 0.0105
Onchocerca volvulus 0.0086 0.0953 0.2544
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0017 0.014 0.3851
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2919 0.5526
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0009 0.0037 0.5
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0122 0.0163
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0062 0.1703
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0364 0.0626
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0011 0.0062 0.0048
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0364 0.0328
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0227 0.2633 0.4979
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0009 0.0037 0.5
Echinococcus granulosus intermediate filament protein 0.0033 0.0322 0.0547
Giardia lamblia Sgs1 DNA helicase, putative 0.0011 0.0062 0.5
Brugia malayi Cytochrome P450 family protein 0.0019 0.0163 0.0241
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0322 0.0547
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0011 0.0062 0.0048
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0009 0.0037 0.5
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0018 0.0143 0.0107
Loa Loa (eye worm) CYP4Cod1 0.0019 0.0163 0.0241
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0009 0.0037 0.5
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0009 0.0037 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0364 0.0626
Echinococcus granulosus netrin receptor unc 5 0.0017 0.0142 0.0201
Brugia malayi Death domain containing protein 0.0017 0.0142 0.0201
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0099 0.4933
Schistosoma mansoni hypothetical protein 0.0017 0.0142 0.0105
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0009 0.0037 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0163 1
Echinococcus granulosus lamin 0.0033 0.0322 0.0547
Echinococcus multilocularis musashi 0.0033 0.0322 0.0547
Brugia malayi intermediate filament protein 0.0033 0.0322 0.0547
Trypanosoma brucei cytochrome P450, putative 0.0019 0.0163 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0142 0.0201
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0364 0.0328
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0011 0.0062 0.0048
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0009 0.0037 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0322 0.0547
Loa Loa (eye worm) hypothetical protein 0.0016 0.0122 0.0163
Echinococcus granulosus nuclear factor of activated T cells 5 0.0089 0.0991 0.183
Schistosoma mansoni peptidylglycine monooxygenase 0.0448 0.5251 0.5234
Loa Loa (eye worm) hypothetical protein 0.0015 0.0115 0.015
Echinococcus granulosus bloom syndrome protein 0.0026 0.0241 0.0392
Loa Loa (eye worm) hypothetical protein 0.0021 0.018 0.0273
Trichomonas vaginalis DNA helicase recq1, putative 0.0026 0.0241 0.0441
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0009 0.0037 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0019 0.0163 1
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0009 0.0037 0.5
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0009 0.0037 0.5
Toxoplasma gondii cytochrome p450 superfamily protein 0.0009 0.0037 0.102
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0448 0.5251 1
Brugia malayi Cytochrome P450 family protein 0.0019 0.0163 0.0241
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0348 0.0596
Loa Loa (eye worm) DOMON domain-containing protein 0.0086 0.0953 0.1757
Brugia malayi DOMON domain containing protein 0.0086 0.0953 0.1757
Mycobacterium leprae Conserved hypothetical protein 0.0009 0.0037 0.5
Echinococcus multilocularis lamin dm0 0.0033 0.0322 0.0547
Trichomonas vaginalis DNA helicase recq, putative 0.0026 0.0241 0.0441
Loa Loa (eye worm) hypothetical protein 0.0448 0.5251 1
Loa Loa (eye worm) DOMON domain-containing protein 0.0086 0.0953 0.1757
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0163 0.0241
Onchocerca volvulus 0.0033 0.0322 0.0566
Brugia malayi DOMON domain containing protein 0.0086 0.0953 0.1757
Onchocerca volvulus 0.0033 0.0322 0.0566
Schistosoma mansoni blooms syndrome DNA helicase 0.002 0.0177 0.0141
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0122 0.0163
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0163 1
Echinococcus multilocularis lamin 0.0033 0.0322 0.0547
Plasmodium vivax SET domain protein, putative 0.0036 0.0364 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0062 0.0048
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0143 0.0203
Loa Loa (eye worm) hypothetical protein 0.0011 0.0061 0.0046
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0364 0.0626
Entamoeba histolytica recQ family helicase, putative 0.0014 0.0099 1
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0009 0.0037 0.5
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0009 0.0037 0.5
Echinococcus granulosus Ankyrin 0.0018 0.0143 0.0204
Leishmania major cytochrome p450-like protein 0.0019 0.0163 1
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0009 0.0037 0.5
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0221 0.2554 0.4827
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0062 0.1703
Mycobacterium leprae putative cytochrome p450 0.0009 0.0037 0.5
Onchocerca volvulus 0.0286 0.3332 1
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0099 0.4933
Loa Loa (eye worm) hypothetical protein 0.0011 0.0062 0.0048
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0448 0.5251 1
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0448 0.5251 0.5234
Loa Loa (eye worm) RecQ helicase 0.0026 0.0241 0.0392
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0448 0.5251 1
Schistosoma mansoni ankyrin 23/unc44 0.0017 0.0142 0.0105
Loa Loa (eye worm) DOMON domain-containing protein 0.0086 0.0953 0.1757
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0364 0.0626
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0448 0.5251 1
Schistosoma mansoni lamin 0.0033 0.0322 0.0286
Brugia malayi Bloom's syndrome protein homolog 0.0026 0.0241 0.0392
Brugia malayi Immunoglobulin I-set domain containing protein 0.0017 0.0142 0.0201
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0364 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0023 0.0204 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0115 0.015
Schistosoma mansoni lamin 0.0033 0.0322 0.0286
Loa Loa (eye worm) hypothetical protein 0.0448 0.5251 1
Brugia malayi Pre-SET motif family protein 0.0036 0.0364 0.0626
Brugia malayi Uncoordinated protein 44 0.0017 0.0142 0.0201
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0089 0.0991 0.183
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0009 0.0037 0.5
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3331 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0364 0.0328
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0009 0.0037 0.5
Loa Loa (eye worm) hypothetical protein 0.0018 0.0143 0.0204
Echinococcus granulosus lamin dm0 0.0033 0.0322 0.0547
Brugia malayi DOMON domain containing protein 0.0086 0.0953 0.1757
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0017 0.0142 0.0201
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0009 0.0037 0.5
Schistosoma mansoni DNA helicase recq1 0.0011 0.0062 0.0025
Echinococcus granulosus death domain containing protein 0.0017 0.0142 0.0201
Loa Loa (eye worm) hypothetical protein 0.0033 0.0322 0.0547
Onchocerca volvulus 0.0086 0.0953 0.2544

Activities

Activity type Activity value Assay description Source Reference
-Log IC50 (binding) = 5.59 Inhibition of dopamine beta hydroxylase ChEMBL. 7783140
-Log IC50 (binding) = 5.59 Inhibition of dopamine beta-hydroxylase (DbetaH) in hypertensive rats when administered orally (or) intraperitoneally ChEMBL. 2296023
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 6.309573445 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 15.84893192 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Decrease (functional) ND 0 mM Mean arterial blood pressure at 4 h post drug at po dose of 50 mg/kg for the indicated number of SHR (spontaneous hypertensive rats) relative to blood pressure before dosing ChEMBL. 3820219
Decrease (functional) = 22 mM Mean arterial blood pressure at 4 h post drug at ip dose of 50 mg/kg for the indicated number of SHR (spontaneous hypertensive rats) relative to blood pressure before dosing ChEMBL. 3820219
Decrease in blood pressure (functional) = 22 mmHg Antihypertensive activity was determined by decrease in blood pressure response in spontaneously hypertensive rat was determined after intraperitoneal administration at a dose of 50 mg/kg ChEMBL. 3612682
IC50 (binding) = 5.59 Inhibition of dopamine beta hydroxylase ChEMBL. 7783140
IC50 (binding) = 5.59 Inhibition of dopamine beta-hydroxylase (DbetaH) in hypertensive rats when administered orally (or) intraperitoneally ChEMBL. 2296023
IC50 (binding) = 5.59 Inhibition of dopamine beta-hydroxylase (DbetaH) enzyme ChEMBL. 9435905
IC50 (binding) = 2.6 uM Inhibition of Dopamine beta hydroxylase in spontaneously hypertensive rats; Value ranges from 1.3-4.6 ChEMBL. 3612682
IC50 (binding) = 2.6 uM Inhibitory activity was determined against bovine dopamine beta-hydroxylase(DBH) ChEMBL. 2299645
IC50 (binding) = 2.6 uM Inhibition of Dopamine beta hydroxylase. ChEMBL. 3783606
IC50 (binding) = 2.6 uM Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (1.3-4.6) ChEMBL. 3820219
IC50 (binding) = 2.6 uM Inhibition of Dopamine beta hydroxylase in spontaneously hypertensive rats; Value ranges from 1.3-4.6 ChEMBL. 3612682
IC50 (binding) = 2.6 uM Inhibitory activity was determined against bovine dopamine beta-hydroxylase(DBH) ChEMBL. 2299645
IC50 (binding) = 2.6 uM Inhibition of Dopamine beta hydroxylase. ChEMBL. 3783606
IC50 (binding) = 2.6 uM Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (1.3-4.6) ChEMBL. 3820219
Increase (functional) = 92 % Change in DA/NE (Dopamine/Norepinephrine) ratio after oral dosing (50 mg/kg) ChEMBL. 3820219
Increase (functional) = 95 % Percent increase in DA/NE ratio was determined from assay of DA and NE in the mesenteric artery of spontaneously hypertensive rat after two doses of the compound for 50 mg/kg peroral administration ChEMBL. 3612682
Ki (binding) = 55 nM Binding affinity towards Dopamine beta hydroxylase using tyramine substrate at pH 4.5 in the absence of fumarate ChEMBL. 3712378
Ki (binding) = 55 nM Binding affinity towards Dopamine beta hydroxylase using tyramine substrate at pH 4.5 in the absence of fumarate ChEMBL. 3712378
Ki (binding) = 0.0549 uM Compound was evaluated for the inhibition of Dopamine beta hydroxylase at pH 4.5 ChEMBL. 3783606
Ki (binding) = 0.0549 uM Compound was evaluated for the inhibition of Dopamine beta hydroxylase at pH 4.5 ChEMBL. 3783606
Ki (binding) = 0.344 uM Compound was evaluated for the inhibition of Dopamine beta hydroxylase at pH 6.6 ChEMBL. 3783606
Ki (binding) = 0.344 uM Compound was evaluated for the inhibition of Dopamine beta hydroxylase at pH 6.6 ChEMBL. 3783606
Kis (binding) = 0.055 uM Inhibitor dissociation constant vs. tyramine substrate against Dopamine beta hydroxylase at pH 4.5. ChEMBL. 3820219
Kis (binding) = 0.055 uM Inhibitor dissociation constant vs. tyramine substrate against Dopamine beta hydroxylase at pH 4.5. ChEMBL. 3820219
Kis (binding) = 0.088 uM Inhibitor dissociation constant vs. tyramine substrate against Dopamine beta hydroxylase at pH 6 ChEMBL. 3820219
Kis (binding) = 0.088 uM Inhibitor dissociation constant vs. tyramine substrate against Dopamine beta hydroxylase at pH 6 ChEMBL. 3820219
Kis (binding) = 0.344 uM Inhibitor dissociation constant vs. tyramine substrate against Dopamine beta hydroxylase at pH 6.6 ChEMBL. 3820219
Kis (binding) = 0.344 uM Inhibitor dissociation constant vs. tyramine substrate against Dopamine beta hydroxylase at pH 6.6 ChEMBL. 3820219
logP (ADMET) = 1.02 Partition coefficient (logP) ChEMBL. 3820219
MAP (functional) = 137 mmHg In vivo evaluation ot the compound in spontaneously hypertensive rats for the mean arterial blood pressure ChEMBL. 3712378
Potency (functional) = 0.0008 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.0282 um PUBCHEM_BIOASSAY: qHTS Validation Assay for Inhibitors of Bloom's syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 594 (Rhodamine region spectral profiling screen)] ChEMBL. No reference
Potency (functional) = 0.0282 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bloom's syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 2386 (Probe Development Summary for Inhibitors of Bloom's syndrome helicase (BLM)), 594 (Rhodamine region spectral profiling screen), 2364 (qHTS Validation Assay for Inhibitors of Bloom's syndrome helicase (BLM))] ChEMBL. No reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Agonists for NFkB Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 895 ] ChEMBL. No reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Antagonists for NFkB Signaling Pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.9935 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 29.9349 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 33.8078 uM PUBCHEM_BIOASSAY: qHTS Validation Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 43.3517 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Validation Assay for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Validation Assay for Inhibitors for MPP8 Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) ChEMBL. No reference
Ratio (functional) = 0.1 In vivo evaluation ot the compound in spontaneously hypertensive rats for the catecholamine levels by taking the ratio of dopamine to norepinephrine ChEMBL. 3712378

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.
 
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External resources for this compound

Bibliographic References

8 literature references were collected for this gene.

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