Detailed information for compound 1312616

Basic information

Technical information
  • TDR Targets ID: 1312616
  • Name: 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[ 1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazo l-4-yl]acetamide
  • MW: 437.28 | Formula: C18H18Cl2N6O3
  • H donors: 1 H acceptors: 5 LogP: 3.76 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)Cn1nc(c(c1C)NC(=O)Cn1nc(c(c1C)Cl)[N+](=O)[O-])C
  • InChi: 1S/C18H18Cl2N6O3/c1-10-17(12(3)24(22-10)8-13-4-6-14(19)7-5-13)21-15(27)9-25-11(2)16(20)18(23-25)26(28)29/h4-7H,8-9H2,1-3H3,(H,21,27)
  • InChiKey: LRZOKRVSLOFYJP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]acetamide
  • 2-(4-chloro-5-methyl-3-nitro-1-pyrazolyl)-N-[1-[(4-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]acetamide
  • N-[1-(4-chlorobenzyl)-3,5-dimethyl-pyrazol-4-yl]-2-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)acetamide
  • 2-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]ethanamide
  • SMR000159474
  • AK-968/15360373
  • Oprea1_716693
  • MLS000545227
  • N-[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-{4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed 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 granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani cytochrome p450-like protein 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
Schistosoma mansoni lamin 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
Candida albicans cytochrome P450 56 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
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense cytochrome P450, putative 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
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi 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
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 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
Trypanosoma cruzi cytochrome P450, putative 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
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major cytochrome p450-like protein 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
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
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
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) CYP4Cod1 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
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0201 0.2971 0.2895
Onchocerca volvulus 0.0039 0.0107 1
Plasmodium vivax hypothetical protein 0.0039 0.0107 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0389 0.629 0.625
Trichomonas vaginalis PIKK family atypical protein kinase 0.0161 0.2262 0.2178
Trichomonas vaginalis conserved hypothetical protein 0.0075 0.0743 0.0642
Schistosoma mansoni hypothetical protein 0.0088 0.0971 0.0971
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0201 0.2971 0.2895
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0039 0.0107 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0354 0.5681 0.5634
Loa Loa (eye worm) phosphatidylinositol 3 0.0599 1 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0039 0.0107 0.0107
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0599 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 0.158 0.158
Echinococcus multilocularis Zinc finger, PHD finger 0.0039 0.0107 0.0107
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0201 0.2971 0.2971
Loa Loa (eye worm) phosphatidylinositol 3 0.0039 0.0107 0.0107
Onchocerca volvulus 0.0039 0.0107 1
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0039 0.0107 0.0107
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0283 0.4426 0.4366
Trichomonas vaginalis PIKK family atypical protein kinase 0.0476 0.7836 0.7813
Trichomonas vaginalis PIKK family atypical protein kinase 0.0511 0.8454 0.8437
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0039 0.0107 0.0107
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0039 0.0107 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0599 1 1
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0039 0.0107 0.0107
Trichomonas vaginalis PIKK family atypical protein kinase 0.0201 0.2971 0.2895
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0039 0.0107 0.0107
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0039 0.0107 0.0107
Trichomonas vaginalis PIKK family atypical protein kinase 0.0323 0.5126 0.5074
Entamoeba histolytica hypothetical protein 0.0113 0.1425 0.1332
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0107 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0476 0.7836 0.7813
Trichomonas vaginalis PIKK family atypical protein kinase 0.0201 0.2971 0.2895
Loa Loa (eye worm) hypothetical protein 0.0113 0.1425 0.1425
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0075 0.0743 0.0642
Trichomonas vaginalis PIKK family atypical protein kinase 0.0323 0.5135 0.5082
Trichomonas vaginalis PIKK family atypical protein kinase 0.0445 0.729 0.7261
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0039 0.0107 0.0107
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0599 1 1
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0039 0.0107 0.5
Loa Loa (eye worm) hypothetical protein 0.0126 0.1653 0.1653
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0113 0.1425 0.1332
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0039 0.0107 0.0107
Trichomonas vaginalis PIKK family atypical protein kinase 0.0445 0.729 0.7261
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0039 0.0107 0.0107
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0599 1 1
Echinococcus granulosus serine protein kinase ATM 0.0113 0.1425 0.1425
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0039 0.0107 0.0107
Trichomonas vaginalis PIKK family atypical protein kinase 0.0323 0.5126 0.5074
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0039 0.0107 0.5
Toxoplasma gondii FATC domain-containing protein 0.0113 0.1425 0.1835
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0039 0.0107 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0476 0.7836 0.7813
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0113 0.1425 0.1425
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0039 0.0107 0.0107
Trypanosoma cruzi target of rapamycin kinase 3 0.0477 0.7845 0.7822
Loa Loa (eye worm) phosphatidylinositol 3 0.0039 0.0107 0.0107
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0113 0.1425 0.1425
Trichomonas vaginalis PIKK family atypical protein kinase 0.0358 0.5744 0.5698
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0039 0.0107 0.0107
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0088 0.0971 0.0971
Trichomonas vaginalis PIKK family atypical protein kinase 0.0323 0.5135 0.5082
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0743 0.0642
Loa Loa (eye worm) phosphatidylinositol 3 0.0039 0.0107 0.0107
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0039 0.0107 0.0107
Trichomonas vaginalis PIKK family atypical protein kinase 0.0354 0.5681 0.5634
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0039 0.0107 0.0107
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0113 0.1425 0.1425
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0599 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0039 0.0107 0.0107
Schistosoma mansoni hypothetical protein 0.0205 0.3039 0.3039
Trichomonas vaginalis PIKK family atypical protein kinase 0.0358 0.5744 0.5698
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0201 0.2971 0.2971
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0201 0.2971 0.2895
Trichomonas vaginalis PIKK family atypical protein kinase 0.0201 0.2971 0.2895
Trichomonas vaginalis PIKK family atypical protein kinase 0.0599 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0039 0.0107 0.0107
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0039 0.0107 0.0107
Trichomonas vaginalis conserved hypothetical protein 0.0088 0.0971 0.0873
Echinococcus multilocularis geminin 0.0205 0.3039 0.3039
Schistosoma mansoni hypothetical protein 0.0039 0.0107 0.0107
Echinococcus multilocularis 0.0039 0.0107 0.0107
Schistosoma mansoni hypothetical protein 0.0205 0.3039 0.3039
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0201 0.2971 0.2971
Trichomonas vaginalis PIKK family atypical protein kinase 0.0113 0.1425 0.1332
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0599 1 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.0201 0.2971 0.2895
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0113 0.1425 0.1332
Trichomonas vaginalis PIKK family atypical protein kinase 0.0476 0.7836 0.7813
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0599 1 1
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0039 0.0107 0.0107
Trichomonas vaginalis PIKK family atypical protein kinase 0.0445 0.729 0.7261
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0113 0.1425 0.1425
Echinococcus granulosus geminin 0.0205 0.3039 0.3039
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0039 0.0107 0.0107
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0039 0.0107 0.0107
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0039 0.0107 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0445 0.729 0.7261
Trichomonas vaginalis PIKK family atypical protein kinase 0.0358 0.5744 0.5698
Trichomonas vaginalis PIKK family atypical protein kinase 0.0445 0.729 0.7261
Trichomonas vaginalis PIKK family atypical protein kinase 0.0323 0.5135 0.5082
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0599 1 1
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0477 0.7845 0.7822
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0201 0.2971 0.2971
Loa Loa (eye worm) phosphatidylinositol 3 0.0039 0.0107 0.0107
Loa Loa (eye worm) hypothetical protein 0.0088 0.0971 0.0971
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0113 0.1425 0.1332
Loa Loa (eye worm) hypothetical protein 0.0039 0.0107 0.0107
Trichomonas vaginalis PIKK family atypical protein kinase 0.0599 1 1
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0599 1 1
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0039 0.0107 0.0107
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0039 0.0107 0.0107
Mycobacterium tuberculosis Conserved hypothetical protein 0.0039 0.0107 0.5
Loa Loa (eye worm) phosphatidylinositol kinase 0.0039 0.0107 0.0107
Trichomonas vaginalis conserved hypothetical protein 0.0126 0.1653 0.1563
Trichomonas vaginalis PIKK family atypical protein kinase 0.0201 0.2971 0.2895
Giardia lamblia GTOR 0.0599 1 1
Entamoeba histolytica protein kinase rad3, putative 0.0113 0.1425 0.1332
Trichomonas vaginalis PIKK family atypical protein kinase 0.0402 0.6518 0.6481
Trichomonas vaginalis PIKK family atypical protein kinase 0.0445 0.729 0.7261
Trichomonas vaginalis PIKK family atypical protein kinase 0.0113 0.1425 0.1332
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0477 0.7845 0.7822
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0113 0.1425 0.1332
Toxoplasma gondii target of rapamycin (TOR), putative 0.0445 0.729 1
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0039 0.0107 0.0107
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0039 0.0107 0.0107
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0039 0.0107 0.0107
Trichomonas vaginalis PIKK family atypical protein kinase 0.0445 0.729 0.7261
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0113 0.1425 0.1425
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0107 0.5
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0039 0.0107 0.0107
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0039 0.0107 0.0107
Schistosoma mansoni fkbp-rapamycin associated protein 0.0113 0.1425 0.1425
Loa Loa (eye worm) hypothetical protein 0.0075 0.0743 0.0743
Trichomonas vaginalis PIKK family atypical protein kinase 0.0476 0.7836 0.7813
Trichomonas vaginalis PIKK family atypical protein kinase 0.0323 0.5126 0.5074
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0599 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0323 0.5135 0.5082
Echinococcus multilocularis serine protein kinase ATM 0.0113 0.1425 0.1425
Trichomonas vaginalis PIKK family atypical protein kinase 0.0113 0.1425 0.1332
Trichomonas vaginalis PIKK family atypical protein kinase 0.0201 0.2971 0.2895
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0201 0.2971 0.2895
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0599 1 1
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0039 0.0107 0.5
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0039 0.0107 0.0107
Loa Loa (eye worm) phosphatidylinositol 3 0.0201 0.2971 0.2971
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0126 0.1653 0.2153
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0088 0.0971 0.0971
Loa Loa (eye worm) hypothetical protein 0.0039 0.0107 0.0107
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0249 0.3817 0.375
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0039 0.0107 0.0107
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0201 0.2971 0.2895
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0599 1 1
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0039 0.0107 0.0107
Brugia malayi FAT domain containing protein 0.0088 0.0971 0.0971

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-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) 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) = 1.122018454 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) 0.0026 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) 10.3225 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6427 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) 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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