Detailed information for compound 1395827

Basic information

Technical information
  • TDR Targets ID: 1395827
  • Name: 2-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]a mino]-N-(1-phenylethyl)acetamide
  • MW: 350.414 | Formula: C20H22N4O2
  • H donors: 2 H acceptors: 4 LogP: 2.63 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC(c1ccccc1)C)CN(Cc1nc(O)c2c(n1)cccc2)C
  • InChi: 1S/C20H22N4O2/c1-14(15-8-4-3-5-9-15)21-19(25)13-24(2)12-18-22-17-11-7-6-10-16(17)20(26)23-18/h3-11,14H,12-13H2,1-2H3,(H,21,25)(H,22,23,26)
  • InChiKey: GDWGZXJBYXXCSW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(4-keto-1H-quinazolin-2-yl)methyl-methyl-amino]-N-(1-phenylethyl)acetamide
  • 2-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-N-(1-phenylethyl)ethanamide
  • T5304910
  • MLS000566743
  • SMR000153727

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Giardia lamblia Kinase, CMGC CLK 0.0065 0.2809 0.3429
Leishmania major casein kinase II, putative 0.0072 0.3301 0.9579
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.1385 0.1988
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.3406 0.3298
Trypanosoma cruzi casein kinase II, putative 0.0072 0.3301 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.13 0.1156
Brugia malayi Inositol-1 0.0045 0.1385 0.106
Trichomonas vaginalis CMGC family protein kinase 0.0072 0.3301 0.4319
Giardia lamblia Kinase, CDC7 0.0117 0.6447 1
Trypanosoma brucei Casein kinase II 0.0072 0.3301 1
Echinococcus granulosus hypothetical protein 0.0062 0.2609 0.2487
Trichomonas vaginalis CMGC family protein kinase 0.0072 0.3301 0.4319
Leishmania major protein kinase, putative 0.0065 0.2809 0.7606
Echinococcus multilocularis CDC7 cell division cycle 7 0.0117 0.6447 0.6388
Echinococcus multilocularis casein kinase ii subunit alpha 0.0072 0.3301 0.3191
Plasmodium vivax casein kinase 2, alpha subunit, putative 0.0072 0.3301 1
Onchocerca volvulus 0.0052 0.1906 0.1096
Trichomonas vaginalis CMGC family protein kinase 0.0117 0.6447 1
Brugia malayi Bromodomain containing protein 0.0091 0.462 0.4417
Echinococcus granulosus casein kinase ii subunit beta 0.0038 0.091 0.076
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0052 0.1906 0.1773
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.1385 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.1385 0.1988
Brugia malayi Bromodomain containing protein 0.0046 0.1501 0.1181
Toxoplasma gondii CMGC kinase, CK2 family 0.0072 0.3301 0.9579
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.332 0.321
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0052 0.1906 0.1906
Giardia lamblia Kinase, CMGC GSK 0.0052 0.1906 0.1799
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.1056 0.5
Giardia lamblia Kinase, CMGC GSK 0.0052 0.1906 0.1799
Entamoeba histolytica protein kinase domain containing protein 0.0072 0.3301 1
Trichomonas vaginalis CMGC family protein kinase 0.0117 0.6447 1
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0052 0.1906 0.4166
Leishmania major protein kinase, putative 0.0065 0.2809 0.7606
Trichomonas vaginalis CMGC family protein kinase 0.0072 0.3301 0.4319
Loa Loa (eye worm) hypothetical protein 0.0046 0.1507 0.1507
Schistosoma mansoni serine/threonine protein kinase 0.0065 0.2809 0.2809
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0065 0.2809 0.794
Entamoeba histolytica casein kinase, putative 0.0072 0.3301 1
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0052 0.1906 0.399
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.1385 0.1988
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.1385 0.0859
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.332 0.321
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0065 0.2809 0.794
Trypanosoma brucei protein kinase, putative 0.0052 0.1906 0.4166
Onchocerca volvulus 0.0117 0.6447 0.6091
Brugia malayi intracellular kinase 0.0052 0.1906 0.1601
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.3406 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.3406 0.3406
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0052 0.1906 0.399
Schistosoma mansoni inositol monophosphatase 0.0045 0.1385 0.1385
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.1385 0.1243
Entamoeba histolytica protein kinase, putative 0.0052 0.1906 0.4166
Schistosoma mansoni protein kinase 0.0072 0.3301 0.3301
Schistosoma mansoni inositol monophosphatase 0.0045 0.1385 0.1385
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0065 0.2809 0.794
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.1906 0.1799
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.3406 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.3406 1
Echinococcus multilocularis protein kinase shaggy 0.0052 0.1906 0.1773
Loa Loa (eye worm) hypothetical protein 0.0049 0.1708 0.1708
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.3406 1
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0065 0.2809 0.794
Plasmodium falciparum casein kinase 2, alpha subunit 0.0072 0.3301 1
Entamoeba histolytica protein kinase domain containing protein 0.0052 0.1906 0.4166
Loa Loa (eye worm) CDC7 protein kinase 0.0117 0.6447 0.6447
Plasmodium vivax glycogen synthase kinase 3, putative 0.0052 0.1906 0.4166
Echinococcus multilocularis 0.0062 0.2609 0.2487
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0065 0.2809 0.794
Schistosoma mansoni serine/threonine protein kinase 0.0065 0.2809 0.2809
Giardia lamblia Kinase, CMGC CK2 0.0072 0.3301 0.4319
Trichomonas vaginalis CMGC family protein kinase 0.0117 0.6447 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.3406 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0162 0.0162
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.3406 0.3298
Brugia malayi Protein kinase domain containing protein 0.0117 0.6447 0.6313
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0052 0.1906 0.1906
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.1385 0.0859
Loa Loa (eye worm) CMGC/CK2 protein kinase 0.0072 0.3301 0.3301
Echinococcus multilocularis casein kinase ii subunit beta 0.0038 0.091 0.076
Schistosoma mansoni casein kinase II beta subunit 0.0038 0.091 0.091
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.3406 0.3406
Trichomonas vaginalis CMGC family protein kinase 0.0072 0.3301 0.4319
Onchocerca volvulus 0.0117 0.6447 0.6091
Trichomonas vaginalis CMGC family protein kinase 0.0072 0.3301 0.4319
Plasmodium falciparum glycogen synthase kinase 3 0.0052 0.1906 0.4166
Echinococcus multilocularis dual specificity protein kinase clk2 0.0065 0.2809 0.269
Loa Loa (eye worm) hypothetical protein 0.0052 0.1871 0.1871
Brugia malayi Casein kinase II, alpha chain 0.0072 0.3301 0.3049
Loa Loa (eye worm) hypothetical protein 0.0085 0.4256 0.4256
Echinococcus granulosus casein kinase ii subunit alpha 0.0072 0.3301 0.3191
Loa Loa (eye worm) inositol-1 0.0045 0.1385 0.1385
Plasmodium vivax unspecified product 0.0072 0.3301 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.13 0.1156
Trichomonas vaginalis CMGC family protein kinase 0.0072 0.3301 0.4319
Plasmodium vivax serine/threonine kinase-1, putative 0.0065 0.2809 0.794
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.1385 0.1904
Brugia malayi Protein kinase domain containing protein 0.0065 0.2809 0.2537
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.1385 0.1243
Trichomonas vaginalis CMGC family protein kinase 0.0072 0.3301 0.4319
Echinococcus granulosus protein kinase shaggy 0.0052 0.1906 0.1773
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0052 0.1906 0.1906
Echinococcus granulosus dual specificity protein kinase clk2 0.0065 0.2809 0.269
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.3406 1
Schistosoma mansoni serine/threonine protein kinase 0.0117 0.6447 0.6447
Brugia malayi Csnk2b protein 0.0038 0.091 0.0567
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0065 0.2809 0.2809
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.1385 0.1988
Echinococcus granulosus CDC7 cell division cycle 7 0.0117 0.6447 0.6388
Loa Loa (eye worm) Csnk2b protein 0.0038 0.091 0.091
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0065 0.2809 0.7606
Entamoeba histolytica protein kinase domain containing protein 0.0052 0.1906 0.4166
Plasmodium falciparum protein serine/threonine kinase-1 0.0065 0.2809 0.794
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0052 0.1906 0.1773
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0065 0.2809 0.794
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.1385 0.1904
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.1385 0.0859
Trichomonas vaginalis CMGC family protein kinase 0.0065 0.2809 0.3429
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.1906 0.1799
Schistosoma mansoni bromodomain containing protein 0.0076 0.3624 0.3624
Loa Loa (eye worm) hypothetical protein 0.0062 0.2609 0.2609

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.122 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 10.4179 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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.