Detailed information for compound 1446433

Basic information

Technical information
  • TDR Targets ID: 1446433
  • Name: methyl 4-[(benzoylamino)-[(1R,2S)-2-cyclohexy l-1-methylcyclopropyl]methyl]benzoate
  • MW: 405.529 | Formula: C26H31NO3
  • H donors: 1 H acceptors: 2 LogP: 6.36 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(cc1)C([C@]1(C)C[C@H]1C1CCCCC1)NC(=O)c1ccccc1
  • InChi: 1S/C26H31NO3/c1-26(17-22(26)18-9-5-3-6-10-18)23(27-24(28)20-11-7-4-8-12-20)19-13-15-21(16-14-19)25(29)30-2/h4,7-8,11-16,18,22-23H,3,5-6,9-10,17H2,1-2H3,(H,27,28)/t22-,23?,26+/m0/s1
  • InChiKey: ZKEQJRJSPBCJTL-GINXKRCJSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 4-[(benzoylamino)-[(1R,2S)-2-cyclohexyl-1-methyl-cyclopropyl]methyl]benzoate
  • 4-[[(1R,2S)-2-cyclohexyl-1-methylcyclopropyl]-[(oxo-phenylmethyl)amino]methyl]benzoic acid methyl ester
  • 4-[(benzoylamino)-[(1R,2S)-2-cyclohexyl-1-methyl-cyclopropyl]methyl]benzoic acid methyl ester
  • methyl 4-[[(1R,2S)-2-cyclohexyl-1-methyl-cyclopropyl]-(phenylcarbonylamino)methyl]benzoate
  • NCGC00074411-01
  • SDCCGMLS-0090961.P001
  • UPCMLD01ACMC002039

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
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
Leishmania major 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
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0056 0.087 0.1882
Schistosoma mansoni hypothetical protein 0.0084 0.2089 0.2184
Brugia malayi Immunoglobulin I-set domain containing protein 0.009 0.2367 0.3999
Onchocerca volvulus 0.0084 0.2089 0.4518
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0054 0.077 0.0633
Schistosoma mansoni hypothetical protein 0.0056 0.087 0.091
Schistosoma mansoni tyrosine kinase 0.0047 0.0462 0.0483
Echinococcus granulosus EG95 0.0084 0.2089 0.1972
Loa Loa (eye worm) hypothetical protein 0.0056 0.087 0.087
Loa Loa (eye worm) TK/FER protein kinase 0.004 0.0147 0.0147
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0084 0.2089 0.1972
Entamoeba histolytica protein kinase, putative 0.0062 0.1108 1
Loa Loa (eye worm) UNCoordinated family member 0.0084 0.2089 0.2089
Echinococcus multilocularis cell adhesion molecule 0.0084 0.2089 0.1972
Onchocerca volvulus 0.0056 0.087 0.1882
Entamoeba histolytica protein kinase domain containing protein 0.0054 0.077 0.6938
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0147 0.4822 0.4745
Brugia malayi hypothetical protein 0.004 0.0147 0.0248
Brugia malayi kettin 0.0056 0.087 0.147
Loa Loa (eye worm) hypothetical protein 0.0084 0.2089 0.2089
Loa Loa (eye worm) hypothetical protein 0.0056 0.087 0.087
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0056 0.087 0.087
Brugia malayi Immunoglobulin I-set domain containing protein 0.0056 0.087 0.147
Brugia malayi Prion-like- 0.0056 0.087 0.147
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.014 0.4544 0.4463
Loa Loa (eye worm) hypothetical protein 0.0084 0.2089 0.2089
Echinococcus multilocularis c src tyrosine kinase 0.0047 0.0462 0.032
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.009 0.2367 0.2254
Schistosoma mansoni hypothetical protein 0.014 0.4544 0.4749
Onchocerca volvulus 0.0056 0.087 0.1882
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0079 0.1855 0.1734
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0054 0.077 0.077
Echinococcus multilocularis tyrosine protein kinase Blk 0.0071 0.154 0.1414
Loa Loa (eye worm) myotactin form A 0.0084 0.2089 0.2089
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0057 0.0909 0.1051
Echinococcus granulosus roundabout 2 0.0166 0.5675 0.5611
Brugia malayi Leucine Rich Repeat family protein 0.0056 0.087 0.147
Schistosoma mansoni nephrin 0.0147 0.4822 0.504
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0047 0.0462 0.0483
Brugia malayi Protein kinase domain containing protein 0.004 0.0147 0.0248
Brugia malayi Immunoglobulin I-set domain containing protein 0.0056 0.087 0.147
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1622 0.5
Echinococcus multilocularis usherin 0.0084 0.2089 0.1972
Loa Loa (eye worm) hypothetical protein 0.0084 0.2089 0.2089
Brugia malayi hypothetical protein 0.0084 0.2089 0.3529
Onchocerca volvulus 0.004 0.0147 0.0317
Echinococcus multilocularis titin 0.0056 0.087 0.0735
Brugia malayi Fibronectin type III domain containing protein 0.0104 0.2943 0.497
Schistosoma mansoni tyrosine kinase 0.0255 0.9568 1
Echinococcus multilocularis lachesin 0.0063 0.1149 0.1017
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0063 0.1149 0.1149
Schistosoma mansoni slit 0.0056 0.087 0.091
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0084 0.2089 0.1972
Brugia malayi Immunoglobulin I-set domain containing protein 0.0056 0.0846 0.1429
Brugia malayi Fibronectin type III domain containing protein 0.0084 0.2089 0.3529
Echinococcus multilocularis hemicentin 1 0.0063 0.1149 0.1017
Onchocerca volvulus 0.0084 0.2089 0.4518
Schistosoma mansoni titin 0.0056 0.087 0.091
Onchocerca volvulus 0.0084 0.2089 0.4518
Onchocerca volvulus 0.0054 0.077 0.1665
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0057 0.0909 0.1051
Loa Loa (eye worm) TK protein kinase 0.0086 0.2169 0.2169
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0056 0.087 0.087
Loa Loa (eye worm) TK protein kinase 0.0071 0.154 0.154
Leishmania major hypothetical protein, conserved 0.0084 0.2089 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0063 0.1149 0.194
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0084 0.2089 0.1972
Echinococcus granulosus plexin a4 0.0043 0.029 0.0146
Brugia malayi Protein-tyrosine phosphatase 0.0084 0.2089 0.3529
Loa Loa (eye worm) TK/FER protein kinase 0.004 0.0147 0.0147
Loa Loa (eye worm) hypothetical protein 0.004 0.0147 0.0147
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0071 0.154 0.1414
Onchocerca volvulus 0.0056 0.087 0.1882
Loa Loa (eye worm) hypothetical protein 0.0104 0.2943 0.2943
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0047 0.0462 0.032
Loa Loa (eye worm) hypothetical protein 0.0084 0.2089 0.2089
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0056 0.0846 0.0846
Brugia malayi Fibronectin type III domain containing protein 0.0084 0.2089 0.3529
Echinococcus granulosus G1Y162 protein 0.0084 0.2089 0.1972
Echinococcus multilocularis mitogen activated protein kinase 3 0.0057 0.0909 0.0773
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0084 0.2089 0.2184
Loa Loa (eye worm) hypothetical protein 0.0056 0.087 0.087
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1622 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1622 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.0909 1
Echinococcus granulosus anosmin 1 0.0084 0.2089 0.1972
Trypanosoma cruzi hypothetical protein, conserved 0.0084 0.2089 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.087 0.087
Echinococcus multilocularis insulin growth factor binding 0.0056 0.087 0.0735
Loa Loa (eye worm) hypothetical protein 0.0056 0.087 0.087
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0056 0.087 0.087
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.0909 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0104 0.2943 0.497
Brugia malayi hypothetical protein 0.0104 0.2943 0.497
Loa Loa (eye worm) CAMK protein kinase 0.0142 0.4625 0.4625
Schistosoma mansoni serine/threonine protein kinase 0.0058 0.0951 0.0994
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.1622 0.5
Brugia malayi MAP kinase sur-1 0.0057 0.0909 0.1535
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0071 0.154 0.1414
Loa Loa (eye worm) hypothetical protein 0.0084 0.2089 0.2089
Loa Loa (eye worm) hypothetical protein 0.0104 0.2943 0.2943
Echinococcus granulosus tyrosine protein kinase Src42A 0.0042 0.0241 0.0095
Brugia malayi Fibronectin type III domain containing protein 0.0084 0.2089 0.3529
Schistosoma mansoni tyrosine kinase 0.004 0.0147 0.0153
Echinococcus granulosus fibronectin type III domain-containing protein 0.0084 0.2089 0.1972
Brugia malayi Immunoglobulin I-set domain containing protein 0.0063 0.1149 0.194
Schistosoma mansoni titin 0.0056 0.087 0.091
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.0909 1
Loa Loa (eye worm) hypothetical protein 0.014 0.4544 0.4544
Onchocerca volvulus Peroxidasin homolog 0.0056 0.087 0.1882
Schistosoma mansoni ephrin receptor 0.0114 0.3388 0.3541
Brugia malayi Tyrosine-protein kinase abl-1 0.0133 0.423 0.7144
Brugia malayi Prion-like- 0.0063 0.1149 0.194
Schistosoma mansoni myosin-binding protein-related 0.014 0.4544 0.4749
Onchocerca volvulus 0.0056 0.087 0.1882
Brugia malayi Immunoglobulin I-set domain containing protein 0.0147 0.4822 0.8145
Echinococcus multilocularis roundabout 2 0.0166 0.5675 0.5611
Echinococcus multilocularis anosmin 1 0.0084 0.2089 0.1972
Schistosoma mansoni cell adhesion molecule 0.0056 0.087 0.091
Echinococcus multilocularis tyrosine protein kinase otk 0.0063 0.1149 0.1017
Loa Loa (eye worm) hypothetical protein 0.0104 0.2943 0.2943
Echinococcus granulosus Fibronectin type III domain containing protein 0.0084 0.2089 0.1972
Brugia malayi Immunoglobulin I-set domain containing protein 0.0147 0.4822 0.8145
Schistosoma mansoni cell adhesion molecule 0.0147 0.4822 0.504
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0086 0.2169 0.2053
Echinococcus multilocularis tyrosine protein kinase Abl 0.0133 0.423 0.4144
Giardia lamblia Kinase, CMGC MAPK 0.0057 0.0909 1
Echinococcus granulosus anosmin 1 0.0084 0.2089 0.1972
Echinococcus granulosus tyrosine protein kinase Src64B 0.0079 0.1855 0.1734
Brugia malayi SRC-1 0.0079 0.1855 0.3134
Trypanosoma cruzi Fibronectin type III domain containing protein, putative 0.0084 0.2089 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.014 0.4544 0.7675
Echinococcus granulosus insulin growth factor binding 0.0056 0.087 0.0735
Echinococcus multilocularis Opioid binding protein:cell adhesion molecule 0.0056 0.087 0.0735
Brugia malayi Immunoglobulin I-set domain containing protein 0.0063 0.1149 0.194
Schistosoma mansoni tyrosine kinase 0.0079 0.1855 0.1939
Loa Loa (eye worm) lethal protein 805 0.0084 0.2089 0.2089
Echinococcus multilocularis hemicentin 1 0.0063 0.1149 0.1017
Echinococcus multilocularis Netrin receptor DCC 0.0084 0.2089 0.1972
Brugia malayi intracellular kinase 0.0054 0.077 0.1301
Loa Loa (eye worm) TK/FER protein kinase 0.004 0.0147 0.0147
Brugia malayi Furin-like cysteine rich region family protein 0.0094 0.251 0.424
Echinococcus granulosus tyrosine protein kinase Fyn 0.0079 0.1855 0.1734
Brugia malayi Prion-like- 0.0056 0.087 0.147
Schistosoma mansoni factor for adipocyte differentiation 0.0084 0.2089 0.2184
Onchocerca volvulus 0.004 0.0147 0.0317
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0057 0.0909 0.0909
Loa Loa (eye worm) TK/FER protein kinase 0.004 0.0147 0.0147
Schistosoma mansoni titin 0.0142 0.4625 0.4833
Loa Loa (eye worm) hypothetical protein 0.0063 0.1149 0.1149
Schistosoma mansoni neuroglian 0.0147 0.4822 0.504
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0084 0.2089 0.2089
Brugia malayi Immunoglobulin I-set domain containing protein 0.0063 0.1149 0.194
Echinococcus multilocularis Fibronectin, type III 0.0084 0.2089 0.1972
Brugia malayi Immunoglobulin I-set domain containing protein 0.014 0.4544 0.7675
Schistosoma mansoni titin 0.0056 0.087 0.091
Brugia malayi Immunoglobulin I-set domain containing protein 0.014 0.4544 0.7675
Brugia malayi Protein kinase domain containing protein 0.004 0.0147 0.0248
Loa Loa (eye worm) hypothetical protein 0.0056 0.087 0.087
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0042 0.0241 0.0095
Brugia malayi Tyrosine-protein kinase abl-1 0.0139 0.4502 0.7604
Echinococcus granulosus tyrosine protein kinase Blk 0.0071 0.154 0.1414
Loa Loa (eye worm) hypothetical protein 0.0063 0.1149 0.1149
Echinococcus multilocularis roundabout 2 0.0147 0.4822 0.4745
Echinococcus granulosus hemicentin 1 0.0063 0.1149 0.1017
Echinococcus granulosus neuroglian 0.0147 0.4822 0.4745
Schistosoma mansoni roundabout 0.0063 0.1149 0.12
Brugia malayi Protein kinase domain containing protein 0.004 0.0147 0.0248
Echinococcus multilocularis transfer RNA-Phe 0.014 0.4544 0.4463
Loa Loa (eye worm) hypothetical protein 0.0084 0.2089 0.2089
Loa Loa (eye worm) hypothetical protein 0.0084 0.2089 0.2089
Schistosoma mansoni tyrosine kinase 0.004 0.0147 0.0153
Loa Loa (eye worm) hypothetical protein 0.0056 0.087 0.087
Brugia malayi Protein kinase domain containing protein 0.0108 0.3125 0.5279
Schistosoma mansoni tyrosine kinase 0.0064 0.1211 0.1266
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0079 0.1855 0.1734
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0147 0.4822 0.4822
Echinococcus granulosus Netrin receptor DCC 0.0084 0.2089 0.1972
Echinococcus granulosus anosmin 1 0.0084 0.2089 0.1972
Brugia malayi myotactin form B 0.0084 0.2089 0.3529
Loa Loa (eye worm) hypothetical protein 0.0063 0.1149 0.1149
Onchocerca volvulus Putative titin 0.0056 0.087 0.1882
Brugia malayi Immunoglobulin I-set domain containing protein 0.0056 0.087 0.147
Echinococcus granulosus pro neuregulin 2 membrane bound 0.0056 0.087 0.0735
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0057 0.0909 0.1051
Loa Loa (eye worm) hypothetical protein 0.0056 0.087 0.087
Echinococcus granulosus titin 0.0056 0.087 0.0735
Brugia malayi Immunoglobulin I-set domain containing protein 0.0142 0.4625 0.7812
Onchocerca volvulus 0.004 0.0147 0.0317
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0057 0.0909 0.1051
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0057 0.0909 0.1051
Schistosoma mansoni hypothetical protein 0.0056 0.087 0.091
Schistosoma mansoni tyrosine kinase 0.0064 0.1211 0.1266
Schistosoma mansoni subfamily M23B non-peptidase homologue (M23 family) 0.0056 0.087 0.091
Loa Loa (eye worm) projectin 0.014 0.4544 0.4544
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.009 0.2367 0.2367
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0147 0.4822 0.4745
Echinococcus multilocularis mitogen activated protein kinase 0.0057 0.0909 0.0773
Entamoeba histolytica SH2-protein kinase domain containing protein 0.004 0.0147 0.1285
Onchocerca volvulus 0.014 0.4544 0.9825
Loa Loa (eye worm) hypothetical protein 0.0147 0.4822 0.4822
Onchocerca volvulus 0.0084 0.2089 0.4518
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0063 0.1149 0.12
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0084 0.2089 0.1972
Echinococcus granulosus tyrosine protein kinase Lyn 0.0081 0.1936 0.1816
Loa Loa (eye worm) TK/FER protein kinase 0.004 0.0147 0.0147
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0079 0.1855 0.1734
Echinococcus multilocularis anosmin 1 0.0084 0.2089 0.1972
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 30. 0.0084 0.2089 0.3529
Echinococcus granulosus roundabout 2 0.0147 0.4822 0.4745
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0147 0.4822 0.4745
Echinococcus multilocularis plexin a4 0.0043 0.029 0.0146
Plasmodium vivax glycogen synthase kinase 3, putative 0.0054 0.077 0.5
Onchocerca volvulus 0.004 0.0147 0.0317
Schistosoma mansoni hemicentin 0.014 0.4544 0.4749
Echinococcus granulosus Netrin receptor DCC 0.0084 0.2089 0.1972
Echinococcus multilocularis leucine rich repeats and immunoglobulin 0.0056 0.087 0.0735
Schistosoma mansoni hypothetical protein 0.0056 0.087 0.091
Echinococcus granulosus tyrosine protein kinase otk 0.0063 0.1149 0.1017
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0084 0.2089 0.1972
Echinococcus granulosus c src tyrosine kinase 0.0047 0.0462 0.032
Brugia malayi Immunoglobulin I-set domain containing protein 0.0056 0.087 0.147
Onchocerca volvulus 0.004 0.0147 0.0317
Echinococcus granulosus Fibronectin type III 0.0084 0.2089 0.1972
Loa Loa (eye worm) TK/INSR protein kinase 0.0172 0.592 0.592
Brugia malayi Immunoglobulin I-set domain containing protein 0.0056 0.087 0.147
Onchocerca volvulus 0.0056 0.087 0.1882
Loa Loa (eye worm) hypothetical protein 0.0084 0.2089 0.2089
Onchocerca volvulus 0.0056 0.087 0.1882
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0079 0.1855 0.1734
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.0909 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0056 0.087 0.147
Schistosoma mansoni tyrosine kinase 0.0172 0.592 0.6187
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0256 0.9594 0.9588
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0079 0.1855 0.1734
Brugia malayi Protein kinase domain containing protein 0.004 0.0147 0.0248
Brugia malayi plexin A 0.0043 0.029 0.049
Loa Loa (eye worm) hypothetical protein 0.0082 0.2002 0.2002
Schistosoma mansoni tyrosine kinase 0.0092 0.2448 0.2558
Brugia malayi Myb-like DNA-binding domain containing protein 0.0056 0.087 0.147
Loa Loa (eye worm) hypothetical protein 0.0056 0.087 0.087
Loa Loa (eye worm) hypothetical protein 0.0056 0.087 0.087
Brugia malayi Immunoglobulin I-set domain containing protein 0.014 0.4544 0.7675
Echinococcus granulosus titin 0.0056 0.087 0.0735
Echinococcus granulosus titin 0.0056 0.087 0.0735
Loa Loa (eye worm) TK/FER protein kinase 0.004 0.0147 0.0147
Echinococcus granulosus leucine rich repeat containing protein 4 0.0056 0.087 0.0735
Schistosoma mansoni serine/threonine protein kinase 0.0037 0.003 0.0032
Echinococcus granulosus Phosphotidylinositol phosphatase PTPRQ 0.0084 0.2089 0.1972
Loa Loa (eye worm) hypothetical protein 0.0084 0.2089 0.2089
Schistosoma mansoni tyrosine kinase 0.0094 0.251 0.2623
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0094 0.251 0.2399
Onchocerca volvulus 0.0084 0.2089 0.4518
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0147 0.4822 0.4745
Entamoeba histolytica protein kinase, putative 0.0054 0.077 0.6938
Echinococcus granulosus insulin receptor 0.0172 0.592 0.586
Brugia malayi Animal haem peroxidase family protein 0.0056 0.087 0.147
Schistosoma mansoni tyrosine kinase 0.0047 0.0462 0.0483
Brugia malayi protein unc-22 0.0142 0.4625 0.7812
Echinococcus multilocularis down syndrome cell adhesion 0.0056 0.087 0.0735
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0079 0.1855 0.1734
Brugia malayi Immunoglobulin I-set domain containing protein 0.014 0.4544 0.7675
Loa Loa (eye worm) hypothetical protein 0.0078 0.1826 0.1826
Loa Loa (eye worm) hypothetical protein 0.0056 0.087 0.087
Echinococcus granulosus mitogen activated protein kinase 0.0057 0.0909 0.0773
Loa Loa (eye worm) hypothetical protein 0.0063 0.1149 0.1149
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.014 0.4544 0.4544
Echinococcus granulosus lachesin 0.0063 0.1149 0.1017
Echinococcus multilocularis neuroglian 0.0147 0.4822 0.4745
Loa Loa (eye worm) hypothetical protein 0.0056 0.087 0.087
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0063 0.1149 0.1149
Schistosoma mansoni cell adhesion molecule 0.0063 0.1149 0.12
Schistosoma mansoni cell adhesion molecule 0.014 0.4544 0.4749
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0056 0.087 0.087
Brugia malayi Prion-like- 0.0056 0.087 0.147
Schistosoma mansoni septate junction protein 0.0063 0.1149 0.12
Schistosoma mansoni cell adhesion molecule 0.0147 0.4822 0.504
Schistosoma mansoni nephrin related 0.0056 0.087 0.091
Loa Loa (eye worm) hypothetical protein 0.0082 0.2002 0.2002
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0256 0.9594 0.9588
Schistosoma mansoni tyrosine kinase 0.0094 0.251 0.2623
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0047 0.0462 0.032
Echinococcus multilocularis titin 0.0056 0.087 0.0735
Echinococcus granulosus tyrosine protein kinase Src42A 0.0079 0.1855 0.1734
Loa Loa (eye worm) TK/EGFR protein kinase 0.0094 0.251 0.251
Loa Loa (eye worm) hypothetical protein 0.0063 0.1149 0.1149
Echinococcus multilocularis titin 0.0056 0.087 0.0735
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0079 0.1855 0.1734
Schistosoma mansoni titin 0.0084 0.2089 0.2184
Echinococcus granulosus down syndrome cell adhesion 0.0056 0.087 0.0735
Loa Loa (eye worm) plexin A 0.0043 0.029 0.029
Loa Loa (eye worm) TK/ROR protein kinase 0.0086 0.2169 0.2169
Echinococcus multilocularis Fibronectin type III domain containing protein 0.0084 0.2089 0.1972
Onchocerca volvulus 0.0084 0.2089 0.4518
Onchocerca volvulus Netrin receptor homolog 0.0056 0.087 0.1882
Loa Loa (eye worm) animal heme peroxidase 0.0056 0.087 0.087
Loa Loa (eye worm) hypothetical protein 0.0084 0.2089 0.2089
Brugia malayi Wrapper/rega-1/klingon homolog protein 1 0.0056 0.087 0.147
Echinococcus multilocularis twitchin 0.0058 0.0951 0.0817
Schistosoma mansoni cell adhesion molecule 0.014 0.4544 0.4749
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0063 0.1149 0.2484
Loa Loa (eye worm) disorganized muscle protein 1 0.0056 0.087 0.087
Brugia malayi SPRY domain containing protein 0.0084 0.2089 0.3529
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.014 0.4544 0.4544
Schistosoma mansoni titin 0.014 0.4544 0.4749
Echinococcus multilocularis anosmin 1 0.0084 0.2089 0.1972
Echinococcus multilocularis Netrin receptor DCC 0.0084 0.2089 0.1972
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0147 0.4822 0.4745
Brugia malayi Immunoglobulin I-set domain containing protein 0.0086 0.2169 0.3664
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0142 0.4625 0.4625
Brugia malayi Immunoglobulin I-set domain containing protein 0.0063 0.1149 0.194
Brugia malayi SH2 domain containing protein 0.004 0.0147 0.0248
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0148 0.4903 0.4903
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0057 0.0909 0.1051
Loa Loa (eye worm) hypothetical protein 0.0084 0.2089 0.2089
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0054 0.077 0.0633
Echinococcus multilocularis neuroglian 0.0076 0.1724 0.1601
Echinococcus granulosus epidermal growth factor receptor 0.0094 0.251 0.2399
Entamoeba histolytica protein kinase domain containing protein 0.0054 0.077 0.6938
Onchocerca volvulus 0.0056 0.087 0.1882
Brugia malayi Protein kinase domain containing protein 0.0172 0.592 1
Echinococcus granulosus leucine rich repeats and immunoglobulin 0.0056 0.087 0.0735
Schistosoma mansoni protein tyrosine phosphatase 0.0084 0.2089 0.2184
Echinococcus granulosus tyrosine protein kinase HCK 0.0062 0.1108 0.0975
Brugia malayi Immunoglobulin I-set domain containing protein 0.0056 0.087 0.147
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0079 0.1855 0.1734
Schistosoma mansoni tripartite motif protein trim9 0.0084 0.2089 0.2184
Schistosoma mansoni nephrin 0.016 0.5397 0.5641
Echinococcus granulosus neuroglian 0.0076 0.1724 0.1601
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0054 0.077 0.0805
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0057 0.0909 0.1051
Brugia malayi Immunoglobulin I-set domain containing protein 0.014 0.4544 0.7675
Schistosoma mansoni titin 0.0063 0.1149 0.12
Loa Loa (eye worm) hypothetical protein 0.0063 0.1149 0.1149
Loa Loa (eye worm) TK protein kinase 0.0062 0.1108 0.1108
Brugia malayi Immunoglobulin I-set domain containing protein 0.0056 0.087 0.147
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.014 0.4544 0.4544
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0265 1 1
Loa Loa (eye worm) STAT protein 0.0137 0.4407 0.4407
Echinococcus granulosus protein kinase shaggy 0.0054 0.077 0.0633
Schistosoma mansoni hypothetical protein 0.0084 0.2089 0.2184
Brugia malayi Lethal protein 805 0.0084 0.2089 0.3529
Schistosoma mansoni factor for adipocyte differentiation 0.0084 0.2089 0.2184
Onchocerca volvulus 0.0084 0.2089 0.4518
Brugia malayi Fibronectin type III domain containing protein 0.0084 0.2089 0.3529
Onchocerca volvulus 0.0142 0.4625 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1622 0.1695
Schistosoma mansoni serine/threonine protein kinase 0.0057 0.0909 0.095
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0079 0.1855 0.1734
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0084 0.2089 0.2184
Echinococcus multilocularis tyrosine protein kinase HCK 0.0062 0.1108 0.0975
Schistosoma mansoni hypothetical protein 0.0056 0.087 0.091
Onchocerca volvulus 0.0084 0.2089 0.4518
Echinococcus granulosus contactin 0.0147 0.4822 0.4745
Brugia malayi Protein kinase domain containing protein 0.004 0.0147 0.0248
Echinococcus multilocularis titin 0.0142 0.4625 0.4545
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0084 0.2089 0.2089
Loa Loa (eye worm) hypothetical protein 0.0056 0.087 0.087
Brugia malayi Immunoglobulin I-set domain containing protein 0.0056 0.087 0.147
Brugia malayi Disorganized muscle protein 1 0.0056 0.087 0.147
Echinococcus multilocularis protein kinase shaggy 0.0054 0.077 0.0633
Schistosoma mansoni hypothetical protein 0.0056 0.087 0.091
Brugia malayi SH2 domain containing protein 0.004 0.0147 0.0248
Trypanosoma brucei Fibronectin type III domain containing protein, putative 0.0084 0.2089 1
Echinococcus granulosus Down syndrome cell adhesion molecule 0.009 0.2367 0.2254
Brugia malayi protein-tyrosine phosphatase Lar-like precursor, putative 0.0084 0.2089 0.3529
Loa Loa (eye worm) TK/FER protein kinase 0.004 0.0147 0.0147
Echinococcus multilocularis epidermal growth factor receptor 0.0094 0.251 0.2399
Schistosoma mansoni tyrosine kinase 0.0172 0.592 0.6187
Echinococcus multilocularis roundabout 2 0.0147 0.4822 0.4745
Echinococcus multilocularis epidermal growth factor receptor 0.0094 0.251 0.2399
Schistosoma mansoni cell adhesion molecule 0.011 0.3221 0.3366
Loa Loa (eye worm) hypothetical protein 0.0056 0.087 0.087
Loa Loa (eye worm) hypothetical protein 0.0056 0.087 0.087
Echinococcus multilocularis fibronectin type III domain-containing protein 0.0084 0.2089 0.1972
Echinococcus multilocularis titin 0.0084 0.2089 0.1972
Echinococcus granulosus titin 0.0142 0.4625 0.4545
Onchocerca volvulus 0.014 0.4544 0.9825
Echinococcus multilocularis tyrosine protein kinase Srms 0.0071 0.154 0.1414
Brugia malayi STAT protein, DNA binding domain containing protein 0.0137 0.4407 0.7444
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1622 0.1497
Echinococcus granulosus tyrosine protein kinase Fyn 0.0079 0.1855 0.1734
Echinococcus multilocularis 0.0056 0.087 0.0735
Echinococcus granulosus tyrosine kinase 0.0071 0.154 0.1414
Trypanosoma brucei protein kinase, putative 0.0057 0.0909 0.1051
Schistosoma mansoni tyrosine kinase 0.0094 0.251 0.2623
Loa Loa (eye worm) hypothetical protein 0.0084 0.2089 0.2089
Brugia malayi Immunoglobulin I-set domain containing protein 0.0147 0.4822 0.8145
Echinococcus granulosus nephrin 0.014 0.4544 0.4463
Loa Loa (eye worm) hypothetical protein 0.0084 0.2089 0.2089
Echinococcus multilocularis pro neuregulin 2, membrane bound 0.0056 0.087 0.0735
Brugia malayi protein-tyrosine kinase 0.0071 0.154 0.26
Brugia malayi Fibronectin type III domain containing protein 0.0084 0.2089 0.3529
Onchocerca volvulus 0.004 0.0147 0.0317
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0079 0.1855 0.1734
Loa Loa (eye worm) hypothetical protein 0.0084 0.2089 0.2089
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1622 0.1695
Schistosoma mansoni hypothetical protein 0.0056 0.087 0.091
Loa Loa (eye worm) TK/FER protein kinase 0.004 0.0147 0.0147
Brugia malayi Lethal protein 805 0.0084 0.2089 0.3529
Onchocerca volvulus 0.0084 0.2089 0.4518
Trypanosoma cruzi Fibronectin type III domain containing protein, putative 0.0084 0.2089 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0054 0.077 0.077
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1622 0.6456
Echinococcus multilocularis insulin receptor 0.0172 0.592 0.586
Schistosoma mansoni serine/threonine protein kinase 0.0142 0.4625 0.4833
Echinococcus granulosus tyrosine protein kinase Fyn 0.0079 0.1855 0.1734
Onchocerca volvulus Peroxidasin homolog 0.0056 0.087 0.1882
Echinococcus granulosus epidermal growth factor receptor 0.0094 0.251 0.2399
Brugia malayi Peroxidasin 0.0063 0.1149 0.194
Loa Loa (eye worm) TK/FER protein kinase 0.004 0.0147 0.0147
Loa Loa (eye worm) hypothetical protein 0.0063 0.1149 0.1149
Echinococcus granulosus mitogen activated protein kinase 3 0.0057 0.0909 0.0773
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0147 0.4822 0.504
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0084 0.2089 0.2089
Schistosoma mansoni titin 0.0056 0.087 0.091
Loa Loa (eye worm) TK/FER protein kinase 0.004 0.0147 0.0147
Echinococcus granulosus Phosphotidylinositol phosphatase PTPRQ 0.0084 0.2089 0.1972
Schistosoma mansoni titin 0.0056 0.087 0.091
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0079 0.1855 0.1734
Echinococcus multilocularis peroxidasin 0.0063 0.1149 0.1017
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1622 0.5
Schistosoma mansoni receptor protein tyrosine phosphatase 0.0084 0.2089 0.2184
Brugia malayi Immunoglobulin I-set domain containing protein 0.0056 0.087 0.147
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 32 0.0084 0.2089 0.3529
Echinococcus granulosus peroxidasin 0.0063 0.1149 0.1017
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0086 0.2169 0.2053
Onchocerca volvulus 0.0084 0.2089 0.4518
Schistosoma mansoni septate junction protein 0.0063 0.1149 0.12
Schistosoma mansoni tyrosine kinase 0.0064 0.1211 0.1266
Onchocerca volvulus Tyrosine kinase homolog 0.0086 0.2169 0.4691
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0063 0.1149 0.1017
Echinococcus granulosus cell adhesion molecule 0.0084 0.2089 0.1972
Echinococcus granulosus roundabout 2 0.0147 0.4822 0.4745
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1622 0.1497
Loa Loa (eye worm) hypothetical protein 0.0056 0.087 0.087
Loa Loa (eye worm) hypothetical protein 0.0084 0.2089 0.2089
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0084 0.2089 0.2089
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0056 0.087 0.087
Brugia malayi Immunoglobulin I-set domain containing protein 0.0063 0.1149 0.194
Echinococcus granulosus twitchin 0.0078 0.1805 0.1683
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0084 0.2089 0.2184
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0057 0.0909 0.1628
Brugia malayi Immunoglobulin I-set domain containing protein 0.0056 0.087 0.147
Loa Loa (eye worm) hypothetical protein 0.014 0.4544 0.4544
Schistosoma mansoni tyrosine kinase 0.0079 0.1855 0.1939
Echinococcus multilocularis Phosphotidylinositol phosphatase PTPRQ 0.0084 0.2089 0.1972
Loa Loa (eye worm) TK/ABL protein kinase 0.0265 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.3482 0.3482
Brugia malayi Immunoglobulin I-set domain containing protein 0.0056 0.087 0.147
Brugia malayi myotactin form A 0.0084 0.2089 0.3529
Onchocerca volvulus 0.0084 0.2089 0.4518
Schistosoma mansoni factor for adipocyte differentiation 0.0084 0.2089 0.2184
Plasmodium falciparum glycogen synthase kinase 3 0.0054 0.077 0.5
Echinococcus granulosus usherin 0.0084 0.2089 0.1972
Echinococcus granulosus Opioid binding protein:cell adhesion molecule 0.0056 0.087 0.0735
Echinococcus granulosus titin 0.0142 0.4625 0.4545
Loa Loa (eye worm) one IG domain family member 0.0056 0.087 0.087
Loa Loa (eye worm) SRC-1 0.0079 0.1855 0.1855

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) 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) 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-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 2.511886432 uM 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) = 6.309573445 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
Potency (functional) = 1.2589 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 (ADMET) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C19. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference

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

No literature references available for this target.

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