Detailed information for compound 223839

Basic information

Technical information
  • TDR Targets ID: 223839
  • Name: benzyl N-[1-[(4-chloro-3-oxo-1-phenylbutan-2- yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
  • MW: 444.951 | Formula: C24H29ClN2O4
  • H donors: 2 H acceptors: 3 LogP: 4.87 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClCC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)Cc1ccccc1
  • InChi: 1S/C24H29ClN2O4/c1-17(2)13-21(27-24(30)31-16-19-11-7-4-8-12-19)23(29)26-20(22(28)15-25)14-18-9-5-3-6-10-18/h3-12,17,20-21H,13-16H2,1-2H3,(H,26,29)(H,27,30)
  • InChiKey: UUJYJBKBCDBZBV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • benzyl N-[1-[(1-benzyl-3-chloro-2-oxo-propyl)carbamoyl]-3-methyl-butyl]carbamate
  • N-[1-[[(1-benzyl-3-chloro-2-oxopropyl)amino]-oxomethyl]-3-methylbutyl]carbamic acid benzyl ester
  • phenylmethyl N-[1-[(4-chloro-3-oxo-1-phenyl-butan-2-yl)amino]-4-methyl-1-oxo-pentan-2-yl]carbamate
  • N-[1-[(1-benzyl-3-chloro-2-keto-propyl)carbamoyl]-3-methyl-butyl]carbamic acid benzyl ester
  • phenylmethyl N-[1-[(4-chloro-3-oxo-1-phenylbutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
  • phenylmethyl N-[1-[[3-chloro-2-oxo-1-(phenylmethyl)propyl]carbamoyl]-3-methyl-butyl]carbamate
  • N-[1-[[[3-chloro-2-oxo-1-(phenylmethyl)propyl]amino]-oxomethyl]-3-methylbutyl]carbamic acid phenylmethyl ester
  • N-[1-[[1-(benzyl)-3-chloro-2-keto-propyl]carbamoyl]-3-methyl-butyl]carbamic acid benzyl ester
  • NCI60_001408
  • AIDS-127641
  • AIDS127641
  • Benzyl 1-(((1-benzyl-3-chloro-2-oxopropyl)amino)carbonyl)-3-methylbutylcarbamate
  • Carbamic acid, {[1-[[[3-chloro-2-oxo-1-(phenylmethyl)propyl]amino]carbonyl]-3-meth} ylbutyl]-, phenylmethyl ester
  • NSC173904
  • Carbamic acid, [1-[[[3-chloro-2-oxo-1-(phenylmethyl)propyl]amino]carbonyl]-3-methylbutyl]-, phenylmethyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens SMAD family member 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) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis chromobox protein 1 0.0084 0.0476 0.0476
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.015 0.1013 0.2352
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0059 0.027 0.0626
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.01 0.0232
Mycobacterium tuberculosis Probable oxidoreductase 0.0088 0.0509 0.1071
Schistosoma mansoni pol-related 0.009 0.0523 0.0523
Trypanosoma cruzi DNA polymerase eta, putative 0.0041 0.0124 0.0261
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.015 0.1013 0.1013
Echinococcus granulosus histone lysine methyltransferase setb 0.0059 0.027 0.027
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.028 0.0651
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0205 0.1467 0.309
Plasmodium vivax glutathione reductase, putative 0.0035 0.0071 0.0166
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.028 0.0651
Brugia malayi Fibulin-1 precursor 0.0038 0.0095 0.0222
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0402 0.3081 0.7153
Toxoplasma gondii calcium binding egf domain-containing protein 0.0038 0.0095 0.0222
Leishmania major aldo-keto reductase-like protein 0.009 0.0523 0.1214
Trypanosoma cruzi lanosterol synthase, putative 0.0605 0.4747 1
Schistosoma mansoni chromobox protein 0.0084 0.0476 0.0476
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0032 0.0052 0.011
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0173 0.0402
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0061 0.0284 0.0658
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.0205 0.1467 0.309
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.027 0.027
Leishmania major trypanothione reductase 0.0035 0.0071 0.0166
Trypanosoma brucei mitochondrial DNA polymerase beta 0.023 0.1674 0.3527
Brugia malayi Pre-SET motif family protein 0.0411 0.3155 0.7325
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0551 0.4307 0.4307
Echinococcus multilocularis neutral alpha glucosidase AB 0.0038 0.01 0.01
Trypanosoma brucei glucosidase, putative 0.0038 0.01 0.021
Echinococcus granulosus geminin 0.0205 0.1464 0.1464
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0088 0.0509 0.1071
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0205 0.1467 0.309
Trypanosoma brucei CAAX amino terminal protease, putative 0.0097 0.058 0.1222
Toxoplasma gondii Rab geranylgeranyl transferase type II beta subunit, putative 0.015 0.1013 0.2352
Onchocerca volvulus 0.009 0.0523 0.1445
Schistosoma mansoni geranylgeranyl transferase type II beta subunit 0.015 0.1013 0.1013
Plasmodium vivax geranylgeranyl transferase type2 beta subunit, putative 0.015 0.1013 0.2352
Trypanosoma cruzi hypothetical protein, conserved 0.0205 0.1467 0.309
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0036 0.0076
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.01 0.0232
Schistosoma mansoni aldo-keto reductase 0.009 0.0523 0.0523
Brugia malayi Probable protein farnesyltransferase beta subunit, putative 0.015 0.1013 0.2352
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0035 0.0071 0.015
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.006 0.014
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.006 0.014
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0205 0.1467 0.3405
Loa Loa (eye worm) thioredoxin reductase 0.0035 0.0071 0.0166
Echinococcus multilocularis microtubule associated protein 2 0.1246 1 1
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.0205 0.1467 0.309
Echinococcus granulosus hypothetical protein 0.009 0.0523 0.0523
Trichomonas vaginalis aldo-keto reductase, putative 0.009 0.0523 0.1214
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.0205 0.1467 0.3405
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.028 0.0651
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.0319 0.0741
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0203 0.056
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0059 0.027 0.027
Echinococcus multilocularis aldo keto reductase 0.009 0.0523 0.0523
Echinococcus granulosus chromobox protein 1 0.0084 0.0476 0.0476
Loa Loa (eye worm) hypothetical protein 0.0038 0.0095 0.0222
Trichomonas vaginalis aldo-keto reductase, putative 0.009 0.0523 0.1214
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0551 0.4307 1
Schistosoma mansoni chromobox protein 0.0084 0.0476 0.0476
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0201 0.0201
Plasmodium vivax geranylgeranyltransferase, putative 0.015 0.1013 0.2352
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0476 0.1106
Loa Loa (eye worm) hypothetical protein 0.0038 0.0095 0.0222
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0551 0.4307 1
Echinococcus multilocularis fibrillin 1 0.0038 0.0095 0.0095
Plasmodium falciparum geranylgeranyltransferase, putative 0.015 0.1013 0.2352
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0205 0.1467 0.1467
Brugia malayi jmjC domain containing protein 0.0065 0.0319 0.0741
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0551 0.4307 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0124 0.0288
Onchocerca volvulus 0.009 0.0523 0.1445
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0061 0.0284 0.0597
Trypanosoma brucei trypanothione reductase 0.0035 0.0071 0.015
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.009 0.0523 0.0523
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0205 0.1467 0.3405
Schistosoma mansoni hypothetical protein 0.0205 0.1464 0.1464
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0969 0.2249
Trypanosoma cruzi hypothetical protein, conserved 0.015 0.1013 0.2134
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0551 0.4307 1
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.01 0.021
Loa Loa (eye worm) hypothetical protein 0.0037 0.009 0.0209
Schistosoma mansoni egf-like domain protein 0.0038 0.0095 0.0095
Onchocerca volvulus 0.009 0.0523 0.1445
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0201 0.0201
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0205 0.1467 0.3405
Plasmodium falciparum geranylgeranyl transferase type2 beta subunit, putative 0.015 0.1013 0.2352
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0097 0.058 0.1222
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0109 0.068 0.1433
Schistosoma mansoni alpha-glucosidase 0.0148 0.1001 0.1001
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.009 0.0523 0.0523
Mycobacterium tuberculosis Probable dehydrogenase 0.0079 0.0436 0.0919
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.009 0.0523 0.0523
Brugia malayi Trypsin family protein 0.0071 0.0367 0.0853
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0038 0.0095 0.0222
Trichomonas vaginalis aldo-keto reductase, putative 0.009 0.0523 0.1214
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.009 0.0523 0.1214
Mycobacterium tuberculosis Probable reductase 0.0079 0.0436 0.0919
Loa Loa (eye worm) hypothetical protein 0.0071 0.0367 0.0853
Echinococcus granulosus Tolloid protein 1 0.0038 0.0095 0.0095
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.015 0.1013 0.2352
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0173 0.0479
Onchocerca volvulus 0.009 0.0523 0.1445
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.01 0.0232
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0551 0.4307 0.9075
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.0205 0.1467 0.3405
Trichomonas vaginalis aldo-keto reductase, putative 0.009 0.0523 0.1214
Trichomonas vaginalis aldo-keto reductase, putative 0.009 0.0523 0.1214
Loa Loa (eye worm) hypothetical protein 0.0067 0.0337 0.0783
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.009 0.0523 0.1214
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.0205 0.1467 0.1467
Loa Loa (eye worm) oxidoreductase 0.009 0.0523 0.1214
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.0205 0.1467 0.3405
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0071 0.0367 0.0367
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0205 0.1467 0.309
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0032 0.0052 0.011
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0205 0.1467 0.3405
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0036 0.0076
Trichomonas vaginalis aldo/keto reductase, putative 0.009 0.0523 0.1214
Trypanosoma cruzi aldo/keto reductase, putative 0.009 0.0523 0.1102
Leishmania major geranylgeranyltransferase, putative 0.015 0.1013 0.2352
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.009 0.0523 0.0523
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.015 0.1013 0.2352
Leishmania major farnesyltransferase beta subunit 0.0551 0.4307 1
Trypanosoma cruzi protein farnesyltransferase, putative 0.0551 0.4307 0.9075
Giardia lamblia Rab geranylgeranyltransferase 0.015 0.1013 0.1295
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.015 0.1013 0.1013
Trypanosoma cruzi protein farnesyltransferase, putative 0.0551 0.4307 0.9075
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0223 0.1612 0.1612
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0097 0.058 0.1222
Brugia malayi glutathione reductase 0.0035 0.0071 0.0166
Echinococcus granulosus thioredoxin glutathione reductase 0.0035 0.0075 0.0075
Toxoplasma gondii thioredoxin reductase 0.0035 0.0071 0.0166
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.01 0.0232
Trichomonas vaginalis aldo-keto reductase, putative 0.009 0.0523 0.1214
Onchocerca volvulus 0.01 0.0603 0.1664
Trichomonas vaginalis aldo/keto reductase, putative 0.009 0.0523 0.1214
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.0205 0.1467 0.1467
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0079 0.0436 0.8338
Leishmania major prostaglandin f synthase, putative 0.009 0.0523 0.1214
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0201 0.0466
Onchocerca volvulus 0.0058 0.0264 0.0729
Entamoeba histolytica aldose reductase, putative 0.009 0.0523 0.1214
Echinococcus granulosus neutral alpha glucosidase AB 0.0038 0.01 0.01
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0038 0.0095 0.0222
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0205 0.1467 0.1467
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.009 0.0523 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0205 0.1467 0.3405
Brugia malayi hypothetical protein 0.003 0.0036 0.0084
Echinococcus granulosus aldo keto reductase 0.009 0.0523 0.0523
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0088 0.0509 0.9723
Schistosoma mansoni microtubule-associated protein tau 0.1246 1 1
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0205 0.1467 0.309
Trichomonas vaginalis aldo-keto reductase, putative 0.009 0.0523 0.1214
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0036 0.0076
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0097 0.058 0.058
Trichomonas vaginalis aldo-keto reductase, putative 0.009 0.0523 0.1214
Brugia malayi CAAX amino terminal protease family protein 0.0097 0.058 0.1347
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0073 0.0383 0.0383
Echinococcus granulosus transcription factor Dp 1 0.0035 0.0074 0.0074
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.009 0.0523 0.1214
Echinococcus granulosus aldo keto reductase 0.009 0.0523 0.0523
Echinococcus multilocularis transcription factor Dp 1 0.0035 0.0074 0.0074
Echinococcus multilocularis lysine specific demethylase 5A 0.0065 0.0319 0.0319
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0476 0.1106
Echinococcus granulosus aldo keto reductase family 1 member B4 0.009 0.0523 0.0523
Echinococcus multilocularis dna polymerase eta 0.0041 0.0124 0.0124
Schistosoma mansoni alpha-glucosidase 0.0148 0.1001 0.1001
Brugia malayi Pre-SET motif family protein 0.0059 0.027 0.0626
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0065 0.0319 0.0319
Trypanosoma cruzi geranylgeranyl transferase type II beta subunit, putative 0.015 0.1013 0.2134
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0097 0.058 0.1347
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0551 0.4307 0.4307
Schistosoma mansoni jumonji domain containing protein 0.0065 0.0319 0.0319
Loa Loa (eye worm) hypothetical protein 0.006 0.028 0.0651
Echinococcus granulosus aldo keto reductase family 1 member B4 0.009 0.0523 0.0523
Onchocerca volvulus 0.0073 0.0383 0.1057
Schistosoma mansoni hypothetical protein 0.0041 0.0124 0.0124
Trichomonas vaginalis aldo-keto reductase, putative 0.009 0.0523 0.1214
Loa Loa (eye worm) hypothetical protein 0.015 0.1013 0.2352
Plasmodium vivax SET domain protein, putative 0.0059 0.027 0.0626
Echinococcus multilocularis CAAX prenyl protease 2 0.0097 0.058 0.058
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0038 0.01 0.0232
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.009 0.0523 0.1214
Trichomonas vaginalis set domain proteins, putative 0.0468 0.362 0.8405
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0201 0.0201
Loa Loa (eye worm) hypothetical protein 0.009 0.0523 0.1214
Trypanosoma brucei DNA polymerase eta, putative 0.0041 0.0124 0.0261
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0551 0.4307 1
Loa Loa (eye worm) hypothetical protein 0.0205 0.1467 0.3405
Leishmania major alpha glucosidase II subunit, putative 0.0038 0.01 0.0232
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0088 0.0509 0.1071
Entamoeba histolytica Rab geranylgeranyltransferase beta subunit, putative 0.015 0.1013 0.2352
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0061 0.0284 0.0284
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0061 0.0284 0.0284
Trichomonas vaginalis aldo/keto reductase, putative 0.009 0.0523 0.1214
Brugia malayi Glycosyl hydrolases family 31 protein 0.0172 0.1197 0.278
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.01 0.0232
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0605 0.4747 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0121 0.0781 0.1645
Schistosoma mansoni jumonji/arid domain-containing protein 0.0065 0.0319 0.0319
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0061 0.0284 0.0658
Schistosoma mansoni alpha glucosidase 0.0038 0.01 0.01
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.009 0.0523 0.0523
Brugia malayi Thioredoxin reductase 0.0035 0.0071 0.0166
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0411 0.3155 0.7325
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0079 0.0436 0.0919
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0036 0.0084
Loa Loa (eye worm) oxidoreductase 0.009 0.0523 0.1214
Entamoeba histolytica aldose reductase, putative 0.009 0.0523 0.1214
Onchocerca volvulus 0.009 0.0523 0.1445
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0173 0.0402
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0551 0.4307 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0038 0.01 0.0232
Trypanosoma cruzi aldo-keto reductase 0.009 0.0523 0.1102
Onchocerca volvulus 0.0071 0.0367 0.1014
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0205 0.1467 0.3405
Entamoeba histolytica aldose reductase, putative 0.009 0.0523 0.1214
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0205 0.1467 0.3405
Loa Loa (eye worm) hypothetical protein 0.015 0.1013 0.2352
Loa Loa (eye worm) hypothetical protein 0.003 0.0036 0.0084
Echinococcus multilocularis aldo keto reductase 0.009 0.0523 0.0523
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0032 0.0052 0.011
Echinococcus granulosus dna polymerase eta 0.0041 0.0124 0.0124
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0036 0.0084
Loa Loa (eye worm) hypothetical protein 0.0038 0.0095 0.0222
Trypanosoma cruzi trypanothione reductase, putative 0.0035 0.0071 0.015
Echinococcus granulosus aldo keto reductase family 1 member B4 0.009 0.0523 0.0523
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0057 0.0252 0.0252
Trichomonas vaginalis aldo-keto reductase, putative 0.009 0.0523 0.1214
Echinococcus multilocularis aldo keto reductase 0.009 0.0523 0.0523
Toxoplasma gondii hypothetical protein 0.0037 0.0091 0.0212
Onchocerca volvulus 0.0468 0.362 1
Brugia malayi ImpB/MucB/SamB family protein 0.0041 0.0124 0.0287
Schistosoma mansoni aldo-keto reductase 0.009 0.0523 0.0523
Trypanosoma brucei geranylgeranyl transferase type II beta subunit, putative 0.015 0.1013 0.2134
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0097 0.058 0.058
Onchocerca volvulus Arrow homolog 0.0038 0.0095 0.0264
Echinococcus granulosus aldo keto reductase family 1 member B4 0.009 0.0523 0.0523
Echinococcus granulosus lysosomal alpha glucosidase 0.0172 0.1197 0.1197
Echinococcus granulosus CAAX prenyl protease 2 0.0097 0.058 0.058
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0551 0.4307 1
Leishmania major mitochondrial DNA polymerase beta 0.023 0.1674 0.3887
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.015 0.1013 0.2352
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0205 0.1467 0.1467
Loa Loa (eye worm) hypothetical protein 0.0047 0.0173 0.0402
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0476 0.1106
Mycobacterium ulcerans hypothetical protein 0.0121 0.0781 1
Toxoplasma gondii calcium binding egf domain-containing protein 0.0038 0.0095 0.0222
Leishmania major protein farnesyltransferase alpha subunit, putative 0.0205 0.1467 0.3405
Onchocerca volvulus 0.0205 0.1467 0.4052
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0061 0.0284 0.0597
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0038 0.01 0.0232
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0551 0.4307 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0205 0.1467 0.3405
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.023 0.1674 0.3527
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0061 0.0284 0.0658
Loa Loa (eye worm) hypothetical protein 0.0097 0.058 0.1347
Leishmania major hypothetical protein, conserved 0.003 0.0036 0.0084
Loa Loa (eye worm) hypothetical protein 0.0067 0.0337 0.0783
Echinococcus granulosus aldo keto reductase family 1 member B4 0.009 0.0523 0.0523
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.015 0.1013 0.1013
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.009 0.0523 0.1214
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0109 0.068 0.1579
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.01 0.0232
Echinococcus granulosus lysine specific demethylase 5A 0.0065 0.0319 0.0319
Brugia malayi chromobox protein homolog 3 0.0047 0.0173 0.0402
Schistosoma mansoni hypothetical protein 0.0205 0.1464 0.1464
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0109 0.068 0.1433
Onchocerca volvulus 0.0037 0.009 0.0248
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.009 0.0523 0.1214
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0036 0.0084
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0029 0.0024 0.0055
Echinococcus granulosus laminin 0.0038 0.0095 0.0095
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.015 0.1013 0.2352
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0201 0.0201
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0205 0.1467 0.3405
Echinococcus multilocularis lysosomal alpha glucosidase 0.0172 0.1197 0.1197
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0079 0.0436 0.0919
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0201 0.0201
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0203 0.0471
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0079 0.0436 0.0919
Plasmodium falciparum glutathione reductase 0.0035 0.0071 0.0166
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0079 0.0436 0.0919
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0201 0.0201
Mycobacterium tuberculosis Probable oxidoreductase 0.009 0.0523 0.1102
Echinococcus granulosus aldo keto reductase 0.009 0.0523 0.0523
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0201 0.0201
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.009 0.0523 0.1214
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.015 0.1013 0.1013
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.009 0.0523 0.1214
Echinococcus granulosus aldehyde reductase 0.0064 0.031 0.031
Loa Loa (eye worm) hypothetical protein 0.0071 0.0367 0.0853
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.01 0.0232
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.009 0.0523 0.0523
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.009 0.0523 0.0523
Brugia malayi hypothetical protein 0.0067 0.0337 0.0783
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.01 0.0232
Echinococcus multilocularis lysosomal alpha glucosidase 0.0172 0.1197 0.1197
Trichomonas vaginalis aldo-keto reductase, putative 0.009 0.0523 0.1214
Leishmania major DNA polymerase eta, putative 0.0029 0.0024 0.0055
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0969 0.2249
Echinococcus multilocularis aldehyde reductase 0.0064 0.031 0.031
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0039 0.011 0.0232
Entamoeba histolytica CAAX prenyl protease family 0.0097 0.058 0.1347
Leishmania major DNA polymerase eta, putative 0.0041 0.0124 0.0287
Brugia malayi jmjC domain containing protein 0.0065 0.0319 0.0741
Trypanosoma brucei aldo-keto reductase, putative 0.009 0.0523 0.1102
Echinococcus granulosus aldo keto reductase family 1 member B4 0.009 0.0523 0.0523
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0551 0.4307 0.4307
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0172 0.1197 0.278
Trypanosoma brucei hypothetical protein, conserved 0.0205 0.1467 0.309
Echinococcus granulosus aldo keto reductase family 1 member B4 0.009 0.0523 0.0523
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.009 0.0523 0.0523
Trypanosoma cruzi DNA polymerase eta, putative 0.0029 0.0024 0.005
Trypanosoma cruzi hypothetical protein, conserved 0.0205 0.1467 0.309
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0071 0.0367 0.0367
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0061 0.0284 0.0597
Wolbachia endosymbiont of Brugia malayi extracellular metallopeptidase 0.0492 0.3822 0.5
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0551 0.4307 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0059 0.027 0.027
Loa Loa (eye worm) hypothetical protein 0.0059 0.027 0.0626
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0036 0.0084
Loa Loa (eye worm) hypothetical protein 0.0041 0.0124 0.0288
Echinococcus granulosus protein prenyltransferase alpha subunit 0.0205 0.1467 0.1467
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0065 0.0319 0.0319
Leishmania major lanosterol synthase, putative 0.0455 0.352 0.8173
Onchocerca volvulus 0.009 0.0523 0.1445
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0061 0.0284 0.0284
Echinococcus multilocularis aldo keto reductase 0.009 0.0523 0.0523
Giardia lamblia Rab geranylgeranyltransferase 0.0205 0.1467 0.2494
Plasmodium falciparum thioredoxin reductase 0.0035 0.0071 0.0166
Toxoplasma gondii hypothetical protein 0.0205 0.1467 0.3405
Mycobacterium ulcerans oxidoreductase 0.009 0.0523 0.6698
Echinococcus multilocularis Rab geranylgeranyltransferase, beta subunit 0.015 0.1013 0.1013
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.009 0.0523 0.0523
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.009 0.0523 0.0523
Loa Loa (eye worm) glutathione reductase 0.0035 0.0071 0.0166
Echinococcus granulosus aldo keto reductase family 1 member B4 0.009 0.0523 0.0523
Trypanosoma brucei prostaglandin f synthase 0.009 0.0523 0.1102
Loa Loa (eye worm) hypothetical protein 0.0038 0.0095 0.0222
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0038 0.0095 0.0095
Echinococcus multilocularis geminin 0.0205 0.1464 0.1464
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0061 0.0284 0.0658
Echinococcus granulosus chromobox protein 1 0.0084 0.0476 0.0476
Mycobacterium leprae Conserved hypothetical protein 0.0064 0.031 0.5922
Loa Loa (eye worm) oxidoreductase 0.009 0.0523 0.1214
Trypanosoma cruzi lanosterol synthase, putative 0.0605 0.4747 1
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0038 0.0095 0.0222
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0201 0.0466
Echinococcus multilocularis chromobox protein 1 0.0084 0.0476 0.0476
Echinococcus multilocularis thioredoxin glutathione reductase 0.0035 0.0075 0.0075
Brugia malayi Heterochromatin protein 1 0.0084 0.0476 0.1106
Trypanosoma brucei lanosterol synthase 0.0605 0.4747 1
Giardia lamblia Hypothetical protein 0.0097 0.058 0.0151
Giardia lamblia Prenyltransferase 0.0551 0.4307 1
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0097 0.058 0.1347
Echinococcus multilocularis laminin 0.0038 0.0095 0.0095
Trichomonas vaginalis maltase-glucoamylase, putative 0.0038 0.01 0.0232
Giardia lamblia Rab geranylgeranyltransferase 0.0205 0.1467 0.2494
Brugia malayi MH2 domain containing protein 0.0144 0.0969 0.2249
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.01 0.0232
Echinococcus multilocularis Tolloid protein 1 0.0038 0.0095 0.0095
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.027 0.027
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.009 0.0523 0.0523
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.023 0.1674 0.3527
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.0205 0.1467 0.1467
Trypanosoma cruzi hypothetical protein, conserved 0.015 0.1013 0.2134
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.027 0.027
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0551 0.4307 1
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.015 0.1013 0.2352
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.009 0.0523 0.1214
Toxoplasma gondii aldose reductase, putative 0.009 0.0523 0.1214
Trichomonas vaginalis aldo-keto reductase, putative 0.009 0.0523 0.1214
Loa Loa (eye worm) oxidoreductase 0.009 0.0523 0.1214
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0551 0.4307 1
Schistosoma mansoni eyes absent homolog 0.0067 0.0337 0.0337
Plasmodium vivax thioredoxin reductase, putative 0.0035 0.0071 0.0166
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0205 0.1467 0.3405
Brugia malayi Glycosyl hydrolases family 31 protein 0.0038 0.01 0.0232
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0551 0.4307 1
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0203 0.0471
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.015 0.1013 0.2352
Brugia malayi Calcium binding EGF domain containing protein 0.0038 0.0095 0.0222
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0205 0.1467 0.3405
Schistosoma mansoni DNA polymerase eta 0.0041 0.0124 0.0124
Schistosoma mansoni polycystin 1-related 0.0043 0.0141 0.0141
Echinococcus granulosus aldo keto reductase family 1 member B4 0.009 0.0523 0.0523
Loa Loa (eye worm) oxidoreductase 0.009 0.0523 0.1214
Loa Loa (eye worm) hypothetical protein 0.0038 0.0095 0.0222
Schistosoma mansoni jumonji/arid domain-containing protein 0.0065 0.0319 0.0319
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.01 0.021
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0038 0.0095 0.0222
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0032 0.0052 0.011
Loa Loa (eye worm) hypothetical protein 0.0041 0.0124 0.0287

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.877 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.808 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.752 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.723 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.692 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.479 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.372 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.19 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
k obs / 1 (binding) = 2500 M-1 s-1 Apparent second order rate constant for inhibition of cathepsin B by fluorogenic assay. ChEMBL. No reference
k obs / 1 (binding) = 2500 M-1 s-1 Apparent second order rate constant for inhibition of cathepsin B by fluorogenic assay. ChEMBL. No reference
k obs / 1 (binding) = 5500 M-1 s-1 Apparent second order rate constant for inhibition of calpain-1 by fluorogenic assay. ChEMBL. No reference
k obs / 1 (binding) = 5500 M-1 s-1 Apparent second order rate constant for inhibition of calpain-1 by fluorogenic assay. ChEMBL. No reference
Potency (functional) 4.4668 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 6.5131 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.3078 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) 9.4662 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 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
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) 31.6228 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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