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
Echinococcus granulosus acetylcholinesterase Acyl coenzyme A:cholesterol acyltransferase   565 aa 527 aa 30.6 %
Drosophila melanogaster alpha-Esterase-6 Acyl coenzyme A:cholesterol acyltransferase   565 aa 566 aa 29.5 %
Echinococcus multilocularis BC026374 protein (S09 family) Acyl coenzyme A:cholesterol acyltransferase   565 aa 575 aa 28.2 %
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 %
Onchocerca volvulus Acyl coenzyme A:cholesterol acyltransferase   565 aa 526 aa 21.9 %
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 %
Onchocerca volvulus Carnitine O-palmitoyltransferase 2, mitochondrial homolog Acyl coenzyme A:cholesterol acyltransferase   565 aa 539 aa 27.6 %
Drosophila melanogaster alpha-Esterase-7 Acyl coenzyme A:cholesterol acyltransferase   565 aa 518 aa 31.9 %
Loa Loa (eye worm) acetylcholinesterase 1 Acyl coenzyme A:cholesterol acyltransferase   565 aa 516 aa 34.9 %
Onchocerca volvulus Acyl coenzyme A:cholesterol acyltransferase   565 aa 579 aa 26.3 %
Schistosoma mansoni gliotactin Acyl coenzyme A:cholesterol acyltransferase   565 aa 575 aa 26.3 %
Schistosoma japonicum ko:K01050 cholinesterase [EC3.1.1.8], putative Acyl coenzyme A:cholesterol acyltransferase   565 aa 574 aa 30.0 %
Brugia malayi Carboxylesterase family protein Acyl coenzyme A:cholesterol acyltransferase   565 aa 523 aa 24.5 %
Onchocerca volvulus Putative nuclear protein Acyl coenzyme A:cholesterol acyltransferase   565 aa 549 aa 32.4 %
Echinococcus multilocularis acetylcholinesterase Acyl coenzyme A:cholesterol acyltransferase   565 aa 589 aa 31.7 %
Onchocerca volvulus Molybdopterin synthase catalytic subunit homolog Acyl coenzyme A:cholesterol acyltransferase   565 aa 507 aa 29.6 %
Brugia malayi Carboxylesterase family protein Acyl coenzyme A:cholesterol acyltransferase   565 aa 537 aa 29.1 %
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Acyl coenzyme A:cholesterol acyltransferase   565 aa 596 aa 31.5 %
Drosophila melanogaster CG10175 gene product from transcript CG10175-RE Acyl coenzyme A:cholesterol acyltransferase   565 aa 568 aa 28.4 %
Onchocerca volvulus Galectin homolog Acyl coenzyme A:cholesterol acyltransferase   565 aa 544 aa 30.5 %
Echinococcus granulosus neuroligin Acyl coenzyme A:cholesterol acyltransferase   565 aa 569 aa 24.4 %
Echinococcus multilocularis neuroligin Acyl coenzyme A:cholesterol acyltransferase   565 aa 507 aa 25.6 %
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 518 aa 30.7 %
Onchocerca volvulus Acyl coenzyme A:cholesterol acyltransferase   565 aa 549 aa 27.5 %
Loa Loa (eye worm) hypothetical protein Acyl coenzyme A:cholesterol acyltransferase   565 aa 524 aa 25.6 %
Obtained from network model

Ranking Plot

Putative Targets List

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

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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