Detailed information for compound 336460

Basic information

Technical information
  • TDR Targets ID: 336460
  • Name: 2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone
  • MW: 272.296 | Formula: C16H16O4
  • H donors: 1 H acceptors: 2 LogP: 2.59 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(=O)C(c1ccc(cc1)OC)O
  • InChi: 1S/C16H16O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15,17H,1-2H3
  • InChiKey: LRRQSCPPOIUNGX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 119-52-8
  • AI3-23357
  • EINECS 204-330-8
  • NSC 7960
  • p-Anisoin (8CI)
  • SBB006267
  • 4,4'-Dimethoxybenzoin
  • Benzoin, 4,4'-dimethoxy-
  • Ethanone, 2-hydroxy-1,2-bis(4-methoxyphenyl)-
  • NSC7960
  • p-Anisoin
  • TimTec1_001608
  • Oprea1_009659
  • NSC8504
  • 2-Hydroxy-4′-methoxy-2-(4-methoxyphenyl)acetophenone
  • 4,4′-Dimethoxybenzoin
  • A88409_ALDRICH
  • 4,4'-Anisoin

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Oryctolagus cuniculus Acyl coenzyme A:cholesterol acyltransferase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans carboxylesterase, LipT Get druggable targets OG5_127908 All targets in OG5_127908
Mycobacterium tuberculosis Carboxylesterase LipT Get druggable targets OG5_127908 All targets in OG5_127908
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Carnitine O-palmitoyltransferase 2, mitochondrial homolog Acyl coenzyme A:cholesterol acyltransferase   565 aa 539 aa 27.6 %
Brugia malayi Carboxylesterase family protein Acyl coenzyme A:cholesterol acyltransferase   565 aa 523 aa 24.5 %
Loa Loa (eye worm) hypothetical protein Acyl coenzyme A:cholesterol acyltransferase   565 aa 575 aa 25.4 %
Echinococcus granulosus BC026374 protein S09 family Acyl coenzyme A:cholesterol acyltransferase   565 aa 577 aa 28.1 %
Brugia malayi Carboxylesterase family protein Acyl coenzyme A:cholesterol acyltransferase   565 aa 505 aa 28.5 %
Echinococcus multilocularis acetylcholinesterase Acyl coenzyme A:cholesterol acyltransferase   565 aa 589 aa 31.7 %
Drosophila melanogaster alpha-Esterase-6 Acyl coenzyme A:cholesterol acyltransferase   565 aa 566 aa 29.5 %
Onchocerca volvulus Acyl coenzyme A:cholesterol acyltransferase   565 aa 526 aa 21.9 %
Onchocerca volvulus Molybdopterin synthase catalytic subunit homolog Acyl coenzyme A:cholesterol acyltransferase   565 aa 507 aa 29.6 %
Onchocerca volvulus Acyl coenzyme A:cholesterol acyltransferase   565 aa 573 aa 27.4 %
Brugia malayi Carboxylesterase family protein Acyl coenzyme A:cholesterol acyltransferase   565 aa 531 aa 28.4 %
Echinococcus multilocularis acetylcholinesterase Acyl coenzyme A:cholesterol acyltransferase   565 aa 518 aa 30.7 %
Brugia malayi Carboxylesterase family protein Acyl coenzyme A:cholesterol acyltransferase   565 aa 537 aa 29.1 %
Onchocerca volvulus Acyl coenzyme A:cholesterol acyltransferase   565 aa 549 aa 27.5 %
Onchocerca volvulus Putative nuclear protein Acyl coenzyme A:cholesterol acyltransferase   565 aa 549 aa 32.4 %
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Acyl coenzyme A:cholesterol acyltransferase   565 aa 596 aa 31.5 %
Echinococcus granulosus neuroligin Acyl coenzyme A:cholesterol acyltransferase   565 aa 569 aa 24.4 %
Schistosoma japonicum ko:K01050 cholinesterase [EC3.1.1.8], putative Acyl coenzyme A:cholesterol acyltransferase   565 aa 574 aa 30.0 %
Echinococcus granulosus acetylcholinesterase Acyl coenzyme A:cholesterol acyltransferase   565 aa 527 aa 30.6 %
Schistosoma mansoni gliotactin Acyl coenzyme A:cholesterol acyltransferase   565 aa 575 aa 26.3 %
Echinococcus multilocularis neuroligin Acyl coenzyme A:cholesterol acyltransferase   565 aa 507 aa 25.6 %
Onchocerca volvulus Galectin homolog Acyl coenzyme A:cholesterol acyltransferase   565 aa 544 aa 30.5 %
Loa Loa (eye worm) hypothetical protein Acyl coenzyme A:cholesterol acyltransferase   565 aa 524 aa 25.6 %
Echinococcus multilocularis BC026374 protein (S09 family) Acyl coenzyme A:cholesterol acyltransferase   565 aa 575 aa 28.2 %
Loa Loa (eye worm) acetylcholinesterase 1 Acyl coenzyme A:cholesterol acyltransferase   565 aa 516 aa 34.9 %
Drosophila melanogaster CG10175 gene product from transcript CG10175-RE Acyl coenzyme A:cholesterol acyltransferase   565 aa 568 aa 28.4 %
Drosophila melanogaster alpha-Esterase-7 Acyl coenzyme A:cholesterol acyltransferase   565 aa 518 aa 31.9 %
Onchocerca volvulus Acyl coenzyme A:cholesterol acyltransferase   565 aa 579 aa 26.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis cathepsin L cysteine protease 0.0521 0.3008 0.2878
Trypanosoma cruzi cysteine peptidase, putative 0.0521 0.3008 0.3235
Mycobacterium tuberculosis Carboxylesterase LipT 0.0182 0.0773 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.1475 0.93 1
Trypanosoma cruzi major cysteine proteinase, putative 0.013 0.043 0.0462
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.013 0.043 0.027
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0363 0.1963 0.5589
Schistosoma mansoni hypothetical protein 0.0166 0.0668 0.0531
Echinococcus granulosus cathepsin b 0.1475 0.93 0.9287
Echinococcus multilocularis cathepsin L cysteine protease 0.0521 0.3008 0.2878
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.013 0.043 0.0872
Plasmodium vivax vivapain-2 0.0521 0.3008 1
Entamoeba histolytica cysteine proteinase, putative 0.0289 0.1475 0.4904
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0521 0.3008 0.9399
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0159 0.0618 0.0664
Echinococcus granulosus cathepsin L 0.0289 0.1475 0.1316
Plasmodium vivax serine-repeat antigen (SERA), putative 0.013 0.043 0.0872
Echinococcus granulosus cathepsin l cysteine peptidase 0.0521 0.3008 0.2878
Brugia malayi Papain family cysteine protease containing protein 0.0521 0.3008 0.3235
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0359 0.1939 0.1788
Echinococcus granulosus cathepsin L cysteine protease 0.0289 0.1475 0.1316
Leishmania major cathepsin L-like protease 0.0521 0.3008 0.9481
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0546 0.3173 0.3412
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0521 0.3008 0.9481
Plasmodium falciparum cysteine proteinase falcipain 3 0.0521 0.3008 1
Loa Loa (eye worm) fibroinase 0.0521 0.3008 0.3235
Onchocerca volvulus 0.0363 0.1963 0.5946
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0093 0.0184 0.0198
Echinococcus granulosus prolyl endopeptidase 0.016 0.063 0.0454
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0317 0.1662 0.4492
Brugia malayi cathepsin L-like cysteine proteinase 0.013 0.043 0.0462
Echinococcus multilocularis Dipeptidyl peptidase 9 0.013 0.0429 0.025
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0334 0.1773 0.1744
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1475 0.93 1
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0201 0.0898 0.2527
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0812 0.4927 0.4832
Entamoeba histolytica cysteine protease, putative 0.0289 0.1475 0.4904
Loa Loa (eye worm) calpain family protein 1 0.0246 0.1194 0.1283
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0521 0.3008 0.9399
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0521 0.3008 1
Toxoplasma gondii preprocathepsin c precursor, putative 0.0317 0.1662 0.4494
Trypanosoma cruzi prolyl endopeptidase 0.016 0.063 0.0677
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0521 0.3008 0.9399
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0317 0.1662 0.1622
Brugia malayi prolyl oligopeptidase family protein 0.013 0.0429 0.0461
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0201 0.0898 0.1704
Echinococcus granulosus cysteine protease 0.0289 0.1475 0.1316
Brugia malayi Cathepsin L-like cysteine proteinase 0.0363 0.1963 0.2111
Schistosoma mansoni cathepsin S (C01 family) 0.013 0.043 0.027
Loa Loa (eye worm) hypothetical protein 0.1475 0.93 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0182 0.0773 1
Loa Loa (eye worm) hypothetical protein 0.013 0.043 0.0462
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0521 0.3008 0.9399
Plasmodium vivax unspecified product 0.0289 0.1475 0.4572
Echinococcus granulosus cathepsin l1 0.0521 0.3008 0.2878
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.008 0.0101 0.0109
Trypanosoma brucei calpain-like protein, putative 0.0093 0.0184 0.0579
Toxoplasma gondii cathepsin CPL 0.0521 0.3008 0.9399
Brugia malayi calpain family protein 1 0.0246 0.1194 0.1283
Entamoeba histolytica cysteine protease, putative 0.0289 0.1475 0.4904
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0521 0.3008 0.9481
Loa Loa (eye worm) hypothetical protein 0.0153 0.0582 0.0626
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0521 0.3008 0.9399
Brugia malayi cahepsin L-like non-peptiedase homolog 0.013 0.043 0.0462
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0093 0.0184 0.0579
Loa Loa (eye worm) cysteine protease 0.0521 0.3008 0.3235
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0317 0.1662 0.4779
Leishmania major cathepsin L-like protease 0.0521 0.3008 0.9481
Trypanosoma brucei calpain-like protein, putative 0.0093 0.0184 0.0579
Entamoeba histolytica cysteine protease, putative 0.013 0.043 0.143
Brugia malayi Cathepsin L-like precursor 0.0363 0.1963 0.2111
Loa Loa (eye worm) papain family cysteine protease containing protein 0.013 0.043 0.0462
Trypanosoma cruzi cruzipain precursor, putative 0.0521 0.3008 0.3235
Loa Loa (eye worm) hypothetical protein 0.013 0.043 0.0462
Trypanosoma brucei calpain-like protein, putative 0.0093 0.0184 0.0579
Plasmodium vivax unspecified product 0.0159 0.0618 0.1535
Onchocerca volvulus Cathepsin F homolog 0.0521 0.3008 1
Entamoeba histolytica cysteine protease, putative 0.0289 0.1475 0.4904
Onchocerca volvulus 0.0334 0.1773 0.521
Entamoeba histolytica cysteine protease, putative 0.013 0.043 0.143
Leishmania major cathepsin L-like protease 0.0521 0.3008 0.9481
Brugia malayi Papain family cysteine protease containing protein 0.013 0.043 0.0462
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0521 0.3008 0.2878
Trypanosoma cruzi cysteine proteinase, putative 0.0289 0.1475 0.1586
Trypanosoma cruzi cysteine peptidase, putative 0.0521 0.3008 0.3235
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.016 0.063 0.1985
Entamoeba histolytica cysteine protease, putative 0.0289 0.1475 0.4904
Echinococcus multilocularis allatostatin A receptor 0.0334 0.1773 0.1619
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0224 0.105 0.095
Echinococcus multilocularis calpain family protein 1, d 0.0181 0.0766 0.0593
Schistosoma mansoni hypothetical protein 0.0166 0.0668 0.0531
Onchocerca volvulus 0.0153 0.0582 0.0589
Loa Loa (eye worm) ctsf protein 0.0521 0.3008 0.3235
Loa Loa (eye worm) calpain 0.0093 0.0184 0.0198
Brugia malayi prolyl oligopeptidase family protein 0.016 0.063 0.0677
Entamoeba histolytica cysteine proteinase, putative 0.0521 0.3008 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0521 0.3008 0.9481
Entamoeba histolytica cysteine proteinase, putative 0.0289 0.1475 0.4904
Toxoplasma gondii cathepsin CPC2 0.0201 0.0898 0.1708
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0289 0.1475 0.1586
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0093 0.0184 0.0198
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.013 0.0429 0.1352
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0546 0.3173 1
Echinococcus granulosus cathepsin l1 0.0363 0.1963 0.1813
Echinococcus granulosus allatostatin A receptor 0.0334 0.1773 0.1619
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0093 0.0184 0.0579
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0317 0.1662 0.5234
Plasmodium vivax vivapain-3 0.0289 0.1475 0.4572
Echinococcus granulosus cathepsin L 0.013 0.043 0.0251
Giardia lamblia Encystation-specific protease 0.0201 0.0898 0.1704
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1581 1 1
Onchocerca volvulus Cathepsin L homolog 0.0521 0.3008 1
Brugia malayi cathepsin L-like precursor 0.0363 0.1963 0.2111
Loa Loa (eye worm) hypothetical protein 0.013 0.043 0.0462
Echinococcus multilocularis cathepsin L 0.013 0.043 0.0251
Loa Loa (eye worm) hypothetical protein 0.0159 0.0618 0.0664
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0289 0.1475 0.381
Onchocerca volvulus 0.0521 0.3008 1
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.013 0.0429 0.0461
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0119 0.0358 0.3817
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.008 0.0101 0.032
Echinococcus multilocularis prolyl endopeptidase 0.016 0.063 0.0454
Entamoeba histolytica cysteine proteinase, putative 0.0363 0.1963 0.6525
Loa Loa (eye worm) hypothetical protein 0.013 0.043 0.0462
Entamoeba histolytica cysteine proteinase 1, putative 0.0289 0.1475 0.4904
Entamoeba histolytica cysteine proteinase, putative 0.0289 0.1475 0.4904
Loa Loa (eye worm) calpain family protein 1 0.0181 0.0766 0.0824
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.013 0.043 0.027
Brugia malayi fibroinase precursor 0.013 0.043 0.0462
Brugia malayi cathepsin B-like cysteine proteinase 0.1475 0.93 1
Loa Loa (eye worm) hypothetical protein 0.0218 0.101 0.1086
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.013 0.0429 0.0461
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.013 0.043 0.0872
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.008 0.0101 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0521 0.3008 0.9399
Loa Loa (eye worm) hypothetical protein 0.013 0.043 0.0462
Schistosoma mansoni cathepsin C 0.013 0.043 0.027
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0257 0.1267 0.1188
Echinococcus multilocularis cathepsin b 0.1475 0.93 0.9287
Echinococcus multilocularis geminin 0.0166 0.0668 0.0493
Loa Loa (eye worm) hypothetical protein 0.0159 0.0618 0.0664
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1475 0.93 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0521 0.3008 0.2878
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0521 0.3008 0.9399
Echinococcus granulosus Dipeptidyl peptidase 9 0.013 0.0429 0.025
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0521 0.3008 0.3235
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.008 0.0101 0.032
Entamoeba histolytica cysteine protease, putative 0.013 0.043 0.143
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.013 0.043 0.027
Entamoeba histolytica papain family cysteine protease domain containing protein 0.013 0.043 0.143
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.013 0.043 0.027
Trypanosoma cruzi cysteine protease, putative 0.0289 0.1475 0.1586
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0521 0.3008 0.9399
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.013 0.043 0.0872
Giardia lamblia Cathepsin B precursor 0.0546 0.3173 1
Trypanosoma cruzi major cysteine proteinase, putative 0.013 0.043 0.0462
Brugia malayi Cathepsin L-like precursor 0.0159 0.0618 0.0664
Onchocerca volvulus 0.0521 0.3008 1
Brugia malayi Cathepsin L-like precursor 0.0521 0.3008 0.3235
Echinococcus multilocularis cysteine protease 0.0521 0.3008 0.2878
Echinococcus multilocularis cathepsin b 0.1475 0.93 0.9287
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0093 0.0184 0.0579
Onchocerca volvulus Cathepsin L homolog 0.0521 0.3008 1
Plasmodium vivax vivapain-2 0.0521 0.3008 1
Trypanosoma cruzi oligopeptidase b 0.008 0.0101 0.0109
Brugia malayi cathepsin Z-like cysteine proteinase 0.013 0.043 0.0462
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0317 0.1662 0.4779
Entamoeba histolytica cysteine protease, putative 0.013 0.043 0.143
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0521 0.3008 0.9399
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0521 0.3008 0.9399
Schistosoma mansoni cathepsin s 0.0159 0.0618 0.0476
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0546 0.3173 0.3279
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.013 0.043 0.0872
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0521 0.3008 0.9399
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0289 0.1475 0.4649
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.016 0.063 0.0489
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.013 0.043 0.027
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0289 0.1475 0.1417
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0093 0.0184 0.0579
Echinococcus granulosus geminin 0.0166 0.0668 0.0493
Plasmodium vivax vivapain-1 0.0289 0.1475 0.4572
Trypanosoma brucei prolyl endopeptidase 0.016 0.063 0.1985
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1475 0.93 1
Brugia malayi cathepsin L precursor 0.013 0.043 0.0462
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.013 0.043 0.0462
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0521 0.3008 0.9399
Trypanosoma cruzi cysteine peptidase, putative 0.0521 0.3008 0.3235
Entamoeba histolytica cysteine protease, putative 0.0289 0.1475 0.4904
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0521 0.3008 0.3235
Brugia malayi Cathepsin L-like precursor 0.0521 0.3008 0.3235
Giardia lamblia Cathepsin B precursor 0.0546 0.3173 1
Trypanosoma brucei oligopeptidase b 0.008 0.0101 0.032
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0521 0.3008 0.9481
Entamoeba histolytica cysteine protease, putative 0.0289 0.1475 0.4904
Schistosoma mansoni cathepsin B (C01 family) 0.013 0.043 0.027
Entamoeba histolytica hypothetical protein 0.013 0.043 0.143
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0521 0.3008 0.9399
Plasmodium vivax serine-repeat antigen (SERA) 0.013 0.043 0.0872
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.013 0.043 0.0872
Brugia malayi cathepsin Z-like cysteine proteinase 0.013 0.043 0.0462
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0521 0.3008 0.9481
Toxoplasma gondii prolyl endopeptidase 0.016 0.063 0.0732
Plasmodium vivax serine-repeat antigen (SERA) 0.013 0.043 0.0872
Plasmodium vivax serine-repeat antigen (SERA), putative 0.013 0.043 0.0872
Loa Loa (eye worm) hypothetical protein 0.0159 0.0618 0.0664
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0359 0.1939 0.585
Onchocerca volvulus Prolyl endopeptidase homolog 0.016 0.063 0.0775
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0363 0.1963 0.2111
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0521 0.3008 0.9481
Entamoeba histolytica cysteine protease, putative 0.0289 0.1475 0.4904
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.1475 0.93 1
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0159 0.0618 0.0664
Brugia malayi Papain family cysteine protease containing protein 0.013 0.043 0.0462
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0093 0.0184 0.0198
Trypanosoma cruzi cysteine peptidase, putative 0.0159 0.0618 0.0664
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0521 0.3008 0.9399
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0289 0.1475 0.4649
Brugia malayi Cathepsin L-like precursor 0.0521 0.3008 0.3235
Leishmania major cathepsin L-like protease 0.0521 0.3008 0.9481
Trypanosoma cruzi cysteine peptidase, putative 0.0289 0.1475 0.1586
Entamoeba histolytica papain family cysteine protease domain containing protein 0.013 0.043 0.143
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0521 0.3008 0.9481
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0521 0.3008 0.9481
Entamoeba histolytica cysteine protease, putative 0.0289 0.1475 0.4904
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0521 0.3008 0.9481
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0521 0.3008 0.9481
Loa Loa (eye worm) hypothetical protein 0.013 0.043 0.0462
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0317 0.1662 0.5234
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0521 0.3008 0.9399
Brugia malayi Papain family cysteine protease containing protein 0.013 0.043 0.0462
Onchocerca volvulus 0.0521 0.3008 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0521 0.3008 0.9399
Trypanosoma brucei calpain-like protein, putative 0.0093 0.0184 0.0579
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0521 0.3008 0.9481
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0521 0.3008 0.9399
Onchocerca volvulus 0.0521 0.3008 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0257 0.1267 0.1188
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0289 0.1475 0.1417
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0546 0.3173 1
Brugia malayi prolyl oligopeptidase family protein 0.0359 0.1939 0.2084
Loa Loa (eye worm) hypothetical protein 0.0181 0.0766 0.0824
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0093 0.0184 0.0579
Brugia malayi cathepsin F-like cysteine proteinase 0.0159 0.0618 0.0664
Entamoeba histolytica cysteine proteinase 2 0.0289 0.1475 0.4904
Onchocerca volvulus 0.0521 0.3008 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0521 0.3008 0.9399
Trypanosoma brucei antigen, putative 0.0093 0.0184 0.0579
Brugia malayi Cathepsin L-like precursor 0.0363 0.1963 0.2111
Trypanosoma cruzi cruzipain precursor, putative 0.0159 0.0618 0.0664
Schistosoma mansoni cathepsin F (C01 family) 0.0521 0.3008 0.3099
Trypanosoma cruzi oligopeptidase b 0.008 0.0101 0.0109
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.013 0.043 0.027
Onchocerca volvulus 0.0521 0.3008 1
Leishmania major cathepsin L-like protease 0.0521 0.3008 0.9481
Schistosoma mansoni cathepsin F (C01 family) 0.0521 0.3008 0.3099
Schistosoma mansoni cathepsin F (C01 family) 0.0363 0.1963 0.1952
Entamoeba histolytica cysteine protease, putative 0.0289 0.1475 0.4904
Entamoeba histolytica cysteine protease, putative 0.013 0.043 0.143
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0201 0.0898 0.1813
Loa Loa (eye worm) cathepsin B 0.0546 0.3173 0.3412
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0359 0.1939 0.1925
Loa Loa (eye worm) hypothetical protein 0.0246 0.1194 0.1283
Brugia malayi calpain family protein 1 0.0246 0.1194 0.1283
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0289 0.1475 0.381
Leishmania major cathepsin L-like protease 0.0521 0.3008 0.9481
Brugia malayi Papain family cysteine protease containing protein 0.0289 0.1475 0.1586
Echinococcus multilocularis calpain A 0.0257 0.1267 0.1103
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0093 0.0184 0.0198
Entamoeba histolytica cysteine proteinase, putative 0.0521 0.3008 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0246 0.1195 0.2788
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0521 0.3008 0.9399
Trypanosoma brucei prolyl oligopeptidase, putative 0.008 0.0101 0.032
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) 0.1233 0.7701 0.8246
Brugia malayi Cathepsin L-like precursor 0.0521 0.3008 0.3235
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0521 0.3008 1
Loa Loa (eye worm) hypothetical protein 0.0363 0.1963 0.2111
Entamoeba histolytica cysteine protease, putative 0.0289 0.1475 0.4904
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0246 0.1194 0.1108
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0093 0.0184 0.0198
Giardia lamblia Cathepsin B precursor 0.0546 0.3173 1
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.013 0.0429 0.1352
Plasmodium falciparum cysteine proteinase falcipain 1 0.0289 0.1475 0.4054
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.008 0.0101 0.0109
Echinococcus granulosus cathepsin b 0.1475 0.93 0.9287
Trypanosoma cruzi cysteine peptidase, putative 0.0521 0.3008 0.3235
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0257 0.1267 0.1103
Leishmania major oligopeptidase b 0.008 0.0101 0.032
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0521 0.3008 0.9399
Onchocerca volvulus 0.0521 0.3008 1
Loa Loa (eye worm) hypothetical protein 0.0363 0.1963 0.2111
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.016 0.063 0.0489
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0521 0.3008 0.9399
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.013 0.043 0.027
Brugia malayi Papain family cysteine protease containing protein 0.0289 0.1475 0.1586
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0093 0.0184 0.0198
Loa Loa (eye worm) hypothetical protein 0.0521 0.3008 0.3235
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0521 0.3008 0.9399
Brugia malayi hypothetical protein 0.0089 0.0157 0.0168
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0093 0.0184 0.0198
Leishmania major cathepsin L-like protease 0.0521 0.3008 0.9481
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0093 0.0184 0.0198
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.013 0.0429 0.0269
Brugia malayi calpain 7 0.0093 0.0184 0.0198
Plasmodium vivax unspecified product 0.013 0.043 0.0872
Echinococcus multilocularis cathepsin L 0.0289 0.1475 0.1316
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.013 0.0429 0.1352
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0521 0.3008 0.2878
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0093 0.0184 0.0198
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0093 0.0184 0.0198
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0521 0.3008 0.9399
Brugia malayi cathepsin F-like cysteine proteinase 0.013 0.043 0.0462
Leishmania major cathepsin L-like protease 0.0521 0.3008 0.9481
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0201 0.0898 0.1704
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0363 0.1963 0.5589
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0521 0.3008 0.9399
Echinococcus multilocularis cysteine protease 0.0521 0.3008 0.2878
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0521 0.3008 0.9399
Entamoeba histolytica cysteine protease, putative 0.0289 0.1475 0.4904
Entamoeba histolytica cysteine protease, putative 0.0289 0.1475 0.4904
Loa Loa (eye worm) hypothetical protein 0.0363 0.1963 0.2111
Loa Loa (eye worm) prolyl oligopeptidase 0.0359 0.1939 0.2084
Echinococcus granulosus calpain A 0.0257 0.1267 0.1103
Entamoeba histolytica cysteine proteinase, putative 0.0289 0.1475 0.4904
Loa Loa (eye worm) hypothetical protein 0.0089 0.0157 0.0168
Entamoeba histolytica cysteine protease, putative 0.0521 0.3008 1
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.013 0.043 0.027
Entamoeba histolytica cysteine protease, putative 0.0289 0.1475 0.4904
Loa Loa (eye worm) hypothetical protein 0.0334 0.1773 0.1907
Brugia malayi Cathepsin L-like precursor 0.0521 0.3008 0.3235
Toxoplasma gondii cathepsin CPC1 0.0317 0.1662 0.4494
Trypanosoma cruzi cysteine proteinase, putative 0.0289 0.1475 0.1586
Loa Loa (eye worm) papain family cysteine protease containing protein 0.013 0.043 0.0462
Brugia malayi Cathepsin L-like precursor 0.0521 0.3008 0.3235
Leishmania major cysteine peptidase A (CPA) 0.0521 0.3008 0.9481
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0257 0.1267 0.1103
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0289 0.1475 0.1417
Toxoplasma gondii cathepsin B 0.0546 0.3173 1
Loa Loa (eye worm) hypothetical protein 0.016 0.063 0.0677
Trypanosoma brucei cysteine peptidase C (CPC) 0.0546 0.3173 1
Entamoeba histolytica cysteine protease, putative 0.013 0.043 0.143
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0359 0.1939 0.1788

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.17 mM Inhibition of PI3Kalpha H1047R mutant in human HCT116 cells assessed as cell growth inhibition after 24 hrs by MTT assay ChEMBL. 26099539
IC50 (binding) = 1.17 mM Inhibition of PI3Kalpha in human HCT116 cells assessed as cell growth inhibition after 24 hrs by MTT assay ChEMBL. 26099539
Ki (binding) = 13900 nM Inhibition constant against rabbit liver carboxylesterase (rCE) using nitrophenyl acetate (o-NPA) as substrate ChEMBL. 15828829
Ki (binding) = 13900 nM Inhibition constant against rabbit liver carboxylesterase (rCE) using nitrophenyl acetate (o-NPA) as substrate ChEMBL. 15828829
Ki (binding) > 100000 nM Inhibition constant against human intestinal carboxylesterase 2 (hiCE) using nitrophenyl acetate (o-NPA) as substrate ChEMBL. 15828829
Ki (binding) > 100000 nM Inhibition constant against human liver carboxylesterase 1 (hCE1) using nitrophenyl acetate (o-NPA) as substrate ChEMBL. 15828829
Ki (binding) > 100000 nM Inhibition constant against human Acetylcholinesterase (hAcChE) using acetylthiocholine (AcTCh) as substrate ChEMBL. 15828829
Ki (binding) > 100000 nM Inhibition constant against human Butyrylcholinesterase (hBuChE) using butyrylthiocholine (BuTCh) as substrate ChEMBL. 15828829
Ki (binding) > 100000 nM Inhibition constant against human intestinal carboxylesterase 2 (hiCE) using nitrophenyl acetate (o-NPA) as substrate ChEMBL. 15828829
Ki (binding) > 100000 nM Inhibition constant against human liver carboxylesterase 1 (hCE1) using nitrophenyl acetate (o-NPA) as substrate ChEMBL. 15828829
Ki (binding) > 100000 nM Inhibition constant against human Acetylcholinesterase (hAcChE) using acetylthiocholine (AcTCh) as substrate ChEMBL. 15828829
Ki (binding) > 100000 nM Inhibition constant against human Butyrylcholinesterase (hBuChE) using butyrylthiocholine (BuTCh) as substrate ChEMBL. 15828829

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

2 literature references were collected for this gene.

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