Detailed information for compound 1424798

Basic information

Technical information
  • TDR Targets ID: 1424798
  • Name: 3-chloro-4,5-dimethoxy-N-(naphthalen-1-ylmeth yl)benzamide
  • MW: 355.815 | Formula: C20H18ClNO3
  • H donors: 1 H acceptors: 1 LogP: 4.51 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(Cl)cc(cc1OC)C(=O)NCc1cccc2c1cccc2
  • InChi: 1S/C20H18ClNO3/c1-24-18-11-15(10-17(21)19(18)25-2)20(23)22-12-14-8-5-7-13-6-3-4-9-16(13)14/h3-11H,12H2,1-2H3,(H,22,23)
  • InChiKey: YZQPPMTUBHYEBE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-chloro-4,5-dimethoxy-N-(1-naphthylmethyl)benzamide
  • ZINC00667537
  • MLS000546034
  • SMR000163881
  • AH-487/42819986

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily D, polypeptide 6 Starlite/ChEMBL No references
Homo sapiens pyruvate kinase, muscle Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Entamoeba histolytica pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii pyruvate kinase PyK1 Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium yoelii pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Schistosoma japonicum Pyruvate kinase isozyme R, putative Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium parvum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase-PB Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium falciparum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma congolense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Chlamydia trachomatis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Cryptosporidium hominis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium tuberculosis Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Theileria parva pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium vivax pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense cytochrome P450, putative 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
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
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
Trypanosoma brucei pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Babesia bovis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium berghei pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium leprae Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1 Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
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 mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans cytochrome P450 556 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
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Neospora caninum Pyruvate kinase (EC 2.7.1.40), related Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Giardia lamblia Pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Echinococcus granulosus pyruvate kinase pyruvate kinase, muscle 605 aa 521 aa 34.9 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii Ferredoxin-fold anticodon binding domain-containing protein 0.0127 0.1314 0.62
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0198 0.0898
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3272 1
Chlamydia trachomatis pyruvate kinase 0.004 0.025 0.0253
Chlamydia trachomatis phenylalanine--tRNA ligase subunit alpha 0.0825 0.9901 1
Echinococcus multilocularis phenylalanyl tRNA synthetase alpha chain B 0.0192 0.2114 0.2107
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0192 0.2114 0.6168
Trypanosoma cruzi phenylalanyl-tRNA synthetase alpha chain, putative 0.0192 0.2114 1
Loa Loa (eye worm) pyruvate kinase-PB 0.0028 0.01 0.0019
Echinococcus granulosus phenylalanyl tRNA synthetase alpha chain B 0.0192 0.2114 0.2107
Entamoeba histolytica phenylalanyl-tRNA synthetase alpha subunit, putative 0.0192 0.2114 1
Giardia lamblia Pyruvate kinase 0.004 0.025 0.1145
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.025 0.0768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0434 0.0425
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.025 0.0169
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit alpha 0.0825 0.9901 1
Loa Loa (eye worm) pyruvate kinase 0.004 0.025 0.0564
Echinococcus granulosus pyruvate kinase 0.004 0.025 0.0241
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0434 0.0425
Leishmania major pyruvate kinase 0.004 0.025 0.0768
Giardia lamblia Phenylalanyl-tRNA synthetase alpha chain 0.0192 0.2114 1
Trypanosoma brucei pyruvate kinase 1 0.004 0.025 0.0768
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit alpha 0.0825 0.9901 1
Brugia malayi Pre-SET motif family protein 0.0036 0.0198 0.0374
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0434 0.0425
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0192 0.2114 0.2107
Plasmodium vivax SET domain protein, putative 0.0036 0.0198 0.0898
Schistosoma mansoni pyruvate kinase 0.004 0.025 0.0241
Loa Loa (eye worm) pyruvate kinase 0.004 0.025 0.0564
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0198 0.0189
Echinococcus multilocularis pyruvate kinase 0.004 0.025 0.0241
Plasmodium falciparum pyruvate kinase 0.004 0.025 0.1145
Loa Loa (eye worm) hypothetical protein 0.0036 0.0198 0.0374
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0198 0.0189
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.0825 0.9901 1
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.025 0.0169
Echinococcus multilocularis phenylalanyl tRNA synthetase 0.0127 0.1314 0.1306
Toxoplasma gondii pyruvate kinase PyK1 0.004 0.025 0.1145
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0434 0.1232
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0198 0.0189
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Schistosoma mansoni pyruvate kinase 0.004 0.025 0.0241
Echinococcus multilocularis pyruvate kinase 0.0032 0.0146 0.0137
Schistosoma mansoni phenylalanyl-tRNA synthetase mitochondrial 0.0127 0.1314 0.1306
Leishmania major phenylalanyl-tRNA synthetase alpha chain, putative 0.0192 0.2114 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0434 0.0425
Mycobacterium leprae Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.0119 0.1223 1
Brugia malayi phenylalanyl (f) trna synthetase protein 1 0.0192 0.2114 0.7342
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0198 0.0189
Plasmodium vivax pyruvate kinase, putative 0.004 0.025 0.1145
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.004 0.025 0.0253
Loa Loa (eye worm) cytochrome P450 family protein 0.004 0.0248 0.0557
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0028 0.0095 0.0096
Plasmodium falciparum phenylalanine--tRNA ligase 0.0127 0.1314 0.62
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2845 1
Toxoplasma gondii phenylalanyl-tRNA synthetase alpha chain A, putative 0.0192 0.2114 1
Brugia malayi Cytochrome P450 family protein 0.004 0.0248 0.0557
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0434 0.0425
Brugia malayi Pyruvate kinase, muscle isozyme 0.004 0.025 0.0564
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0127 0.1314 0.62
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0182 0.0173
Echinococcus multilocularis pyruvate kinase 0.004 0.025 0.0241
Trypanosoma brucei phenylalanyl-tRNA synthetase alpha chain, putative 0.0192 0.2114 1
Loa Loa (eye worm) hypothetical protein 0.0192 0.2114 0.7342
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.025 0.0768
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.025 0.0169
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0072 0.0646 0.131
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0434 0.0425
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0072 0.0646 0.0638
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Plasmodium falciparum phenylalanine--tRNA ligase alpha subunit 0.0192 0.2114 1
Loa Loa (eye worm) phenylalanyl-tRNA synthetase 0.0127 0.1314 0.4433
Mycobacterium ulcerans pyruvate kinase 0.004 0.025 0.0253
Trypanosoma brucei pyruvate kinase 1, putative 0.004 0.025 0.0768
Plasmodium falciparum phenylalanine--tRNA ligase 0.0092 0.0891 0.4191
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0198 0.0189
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0198 0.0189
Loa Loa (eye worm) pyruvate kinase 0.004 0.025 0.0564
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0434 0.1232
Loa Loa (eye worm) hypothetical protein 0.0028 0.01 0.0019
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0434 0.0425
Brugia malayi Pre-SET motif family protein 0.0251 0.2845 1
Brugia malayi phenylalanyl-tRNA synthetase, mitochondrial precursor, putative 0.0127 0.1314 0.4433
Onchocerca volvulus 0.0286 0.3272 1
Echinococcus granulosus pyruvate kinase 0.004 0.025 0.0241
Plasmodium vivax phenylalanine--tRNA ligase alpha subunit, putative 0.0192 0.2114 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0198 0.0189
Treponema pallidum phenylalanyl-tRNA synthetase subunit alpha 0.0192 0.2114 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.025 0.0564
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0072 0.0646 0.3026
Leishmania major pyruvate kinase 0.004 0.025 0.0768
Echinococcus granulosus phenylalanyl tRNA synthetase 0.0127 0.1314 0.1306
Brugia malayi Pyruvate kinase, M2 isozyme 0.004 0.025 0.0564
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0072 0.0646 0.131

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-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 3.16227766 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) = 10 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) = 10 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
AC50 (functional) = 15.84893192 uM 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
Potency (functional) 3.6964 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 3.6964 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 5.0119 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) 7.0795 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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