Detailed information for compound 865700

Basic information

Technical information
  • TDR Targets ID: 865700
  • Name: 3-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-y l]methyl]-6-(hydroxymethyl)pyran-4-one
  • MW: 284.308 | Formula: C13H20N2O5
  • H donors: 3 H acceptors: 4 LogP: -1.92 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCN1CCN(CC1)Cc1oc(CO)cc(=O)c1O
  • InChi: 1S/C13H20N2O5/c16-6-5-14-1-3-15(4-2-14)8-12-13(19)11(18)7-10(9-17)20-12/h7,16-17,19H,1-6,8-9H2
  • InChiKey: GGVORFBCCDEZHC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-hydroxy-2-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-6-(hydroxymethyl)-4-pyranone
  • 3-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-methylol-pyran-4-one
  • SMR000151376
  • T0505-1662
  • Oprea1_251129
  • Oprea1_311646
  • MLS000536516

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Papain family cysteine protease containing protein 0.0026 0.0236 0.0236
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0549 0.0549
Leishmania major cysteine peptidase A (CPA) 0.0026 0.0236 0.2039
Schistosoma mansoni glutaminase 0.033 1 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.3096 0.7881
Brugia malayi Cathepsin L-like precursor 0.0026 0.0236 0.0236
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0549 0.0549
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0026 0.0236 0.0236
Leishmania major cathepsin L-like protease 0.0026 0.0236 0.2039
Trypanosoma cruzi cruzipain precursor, putative 0.0026 0.0236 0.0603
Onchocerca volvulus 0.0026 0.0236 0.0275
Loa Loa (eye worm) calpain 0.002 0.0048 0.0048
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0026 0.0236 0.0487
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0236 0.0236
Loa Loa (eye worm) cysteine protease 0.0026 0.0236 0.0236
Echinococcus multilocularis cathepsin b 0.0141 0.3916 1
Schistosoma mansoni calpain-7 (C02 family) 0.002 0.0048 0.0048
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0057 0.1213 0.1213
Brugia malayi glutaminase DH11.1 0.033 1 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0026 0.0236 0.0603
Brugia malayi Cathepsin L-like precursor 0.0026 0.0236 0.0236
Onchocerca volvulus 0.0286 0.8584 1
Brugia malayi cathepsin B-like cysteine proteinase 0.0141 0.3916 0.3916
Leishmania major cathepsin L-like protease 0.0026 0.0236 0.2039
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.076 0.076
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0026 0.0236 0.0236
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0236 0.0236
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0236 0.0236
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0049 0.0972 1
Loa Loa (eye worm) cathepsin B 0.0049 0.0972 0.0972
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0141 0.3916 0.3916
Onchocerca volvulus Cathepsin L homolog 0.0026 0.0236 0.0275
Echinococcus granulosus calpain 7 C02 family 0.002 0.0048 0.0122
Brugia malayi jmjC domain containing protein 0.0043 0.076 0.076
Echinococcus multilocularis cathepsin L cysteine protease 0.0026 0.0236 0.0487
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0522 0.1332
Trypanosoma cruzi cysteine peptidase, putative 0.0026 0.0236 0.0603
Echinococcus multilocularis peregrin 0.0035 0.0522 0.1225
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0236 0.0236
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.076 0.194
Onchocerca volvulus 0.0026 0.0236 0.0275
Echinococcus granulosus calpain A 0.002 0.0048 0.0122
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.076 0.076
Brugia malayi Pre-SET motif family protein 0.0251 0.7468 0.7468
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0236 0.2039
Loa Loa (eye worm) hypothetical protein 0.0026 0.0236 0.0236
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0236 0.0236
Echinococcus granulosus cathepsin l1 0.0026 0.0236 0.0603
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0048 0.0122
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0236 0.2039
Plasmodium vivax SET domain protein, putative 0.0036 0.0549 1
Echinococcus multilocularis cysteine protease 0.0026 0.0236 0.0487
Trypanosoma brucei cysteine peptidase C (CPC) 0.0049 0.0972 1
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0522 0.0522
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0522 0.946
Onchocerca volvulus 0.0026 0.0236 0.0275
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0141 0.3916 1
Loa Loa (eye worm) hypothetical protein 0.0141 0.3916 0.3916
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0965 0.2371
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0236 0.2039
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.7468 0.7468
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0549 0.1295
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0048 0.0122
Brugia malayi calpain 7 0.002 0.0048 0.0048
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0236 0.0236
Echinococcus granulosus calpain 0.002 0.0048 0.0122
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0048 0.0122
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0048 0.0122
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0236 0.0236
Schistosoma mansoni Mername-AA248 (C02 family) 0.002 0.0048 0.0048
Echinococcus granulosus cathepsin L cysteine proteinase 0.0026 0.0236 0.0603
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0049 0.0972 0.0972
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0236 0.0236
Echinococcus multilocularis calpain family protein 1, d 0.004 0.0674 0.1618
Schistosoma mansoni calpain (C02 family) 0.002 0.0048 0.0048
Schistosoma mansoni cathepsin F (C01 family) 0.0026 0.0236 0.0236
Brugia malayi Cathepsin L-like precursor 0.0026 0.0236 0.0236
Schistosoma mansoni hypothetical protein 0.0035 0.0522 0.0522
Loa Loa (eye worm) calpain family protein 1 0.004 0.0674 0.0674
Trichomonas vaginalis set domain proteins, putative 0.0286 0.8584 0.8584
Loa Loa (eye worm) hypothetical protein 0.0054 0.1134 0.1134
Brugia malayi Cathepsin L-like precursor 0.0026 0.0236 0.0236
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0236 0.0236
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0048 0.0122
Onchocerca volvulus 0.0026 0.0236 0.0275
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0057 0.1213 0.3011
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0236 0.0236
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0236 0.2039
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0026 0.0236 0.0236
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0236 0.0236
Plasmodium vivax vivapain-2 0.0026 0.0236 0.3761
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0522 0.388
Brugia malayi jmjC domain containing protein 0.0115 0.3096 0.3096
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0048 0.0122
Onchocerca volvulus 0.0036 0.0549 0.0639
Toxoplasma gondii cathepsin B 0.0049 0.0972 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0236 0.0236
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0236 0.0236
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.3096 0.7907
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0236 0.2039
Onchocerca volvulus Alhambra homolog 0.0035 0.0522 0.0608
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0236 0.0236
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0236 0.2039
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0236 0.0236
Brugia malayi calpain family protein 1 0.0054 0.1134 0.1134
Echinococcus granulosus cathepsin b 0.0141 0.3916 1
Echinococcus granulosus calpain A 0.0057 0.1213 0.3097
Echinococcus granulosus peregrin 0.0035 0.0522 0.1332
Leishmania major cathepsin L-like protease 0.0026 0.0236 0.2039
Onchocerca volvulus Cathepsin F homolog 0.0026 0.0236 0.0275
Leishmania major cathepsin L-like protease 0.0026 0.0236 0.2039
Loa Loa (eye worm) hypothetical protein 0.0048 0.0936 0.0936
Entamoeba histolytica cysteine protease, putative 0.0026 0.0236 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0026 0.0236 0.0236
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0049 0.0972 0.0972
Giardia lamblia Cathepsin B precursor 0.0049 0.0972 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0549 0.0549
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.076 0.076
Onchocerca volvulus 0.0026 0.0236 0.0275
Echinococcus multilocularis cysteine protease 0.0026 0.0236 0.0487
Leishmania major cathepsin L-like protease 0.0026 0.0236 0.2039
Plasmodium falciparum phd finger protein, putative 0.0035 0.0522 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0476 0.0476
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0522 0.1225
Echinococcus granulosus calpain 5 0.002 0.0048 0.0122
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0048 0.0122
Echinococcus granulosus cathepsin b 0.0141 0.3916 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0236 0.0236
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0236 0.0236
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0141 0.3916 0.3916
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0506 0.1292
Giardia lamblia Cathepsin B precursor 0.0049 0.0972 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0141 0.3916 0.3916
Leishmania major cathepsin L-like protease 0.0026 0.0236 0.2039
Loa Loa (eye worm) hypothetical protein 0.004 0.0674 0.0674
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0236 0.2039
Echinococcus multilocularis calpain A 0.0057 0.1213 0.3011
Loa Loa (eye worm) hypothetical protein 0.0036 0.0549 0.0549
Onchocerca volvulus 0.0026 0.0236 0.0275
Trypanosoma cruzi cysteine peptidase, putative 0.0026 0.0236 0.0603
Schistosoma mansoni calpain C (C02 family) 0.002 0.0048 0.0048
Schistosoma mansoni jumonji domain containing protein 0.0092 0.2334 0.2334
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0141 0.3916 0.3916
Brugia malayi Bromodomain containing protein 0.0035 0.0522 0.0522
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0549 0.1401
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0026 0.0236 0.0487
Trichomonas vaginalis glutaminase, putative 0.033 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0236 0.2039
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1726 0.1726
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0057 0.1213 0.3097
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0965 0.2464
Loa Loa (eye worm) glutaminase 0.033 1 1
Onchocerca volvulus Cathepsin L homolog 0.0026 0.0236 0.0275
Echinococcus multilocularis cathepsin b 0.0141 0.3916 1
Trypanosoma cruzi cysteine peptidase, putative 0.0026 0.0236 0.0603
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0549 0.4248
Schistosoma mansoni cathepsin F (C01 family) 0.0026 0.0236 0.0236
Plasmodium vivax vivapain-2 0.0026 0.0236 0.3761
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0054 0.1134 0.1134
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0048 0.0122
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0057 0.1213 0.1213
Brugia malayi Pre-SET motif family protein 0.0036 0.0549 0.0549
Loa Loa (eye worm) fibroinase 0.0026 0.0236 0.0236
Leishmania major cathepsin L-like protease 0.0026 0.0236 0.2039
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0049 0.0972 0.2482
Brugia malayi PHD-finger family protein 0.0035 0.0522 0.0522
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0522 0.0522
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0236 0.0236
Brugia malayi Cathepsin L-like precursor 0.0026 0.0236 0.0236
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0549 0.1295
Echinococcus multilocularis cathepsin L cysteine protease 0.0026 0.0236 0.0487
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0236 0.0236
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0236 0.0236
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0522 0.388
Mycobacterium ulcerans glutaminase 0.033 1 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0236 0.0236
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0236 0.2039
Brugia malayi calpain family protein 1 0.0054 0.1134 0.1134
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0549 0.0549
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0048 0.0122
Brugia malayi Cathepsin L-like precursor 0.0026 0.0236 0.0236
Loa Loa (eye worm) ctsf protein 0.0026 0.0236 0.0236
Schistosoma mansoni calpain-7 (C02 family) 0.002 0.0048 0.0048
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0236 0.2039
Loa Loa (eye worm) hypothetical protein 0.006 0.133 0.133
Giardia lamblia Cathepsin B precursor 0.0049 0.0972 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0522 0.0522
Onchocerca volvulus 0.0026 0.0236 0.0275
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.076 0.1841
Trypanosoma cruzi calpain cysteine peptidase, putative 0.002 0.0048 0.0122
Trypanosoma cruzi cysteine peptidase, putative 0.0026 0.0236 0.0603
Onchocerca volvulus 0.0034 0.0476 0.0554
Entamoeba histolytica cysteine proteinase, putative 0.0026 0.0236 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.0236 0.0236
Loa Loa (eye worm) calpain family protein 1 0.0054 0.1134 0.1134
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.0236 0.0236
Leishmania major cathepsin L-like protease 0.0026 0.0236 0.2039
Entamoeba histolytica cysteine proteinase, putative 0.0026 0.0236 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0236 0.2039

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.8184 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.2753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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