Detailed information for compound 1320545

Basic information

Technical information
  • TDR Targets ID: 1320545
  • Name: 2-[[5,7-dimethyl-6-[(4-methylphenyl)methyl]-[ 1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl] -1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethan one
  • MW: 467.584 | Formula: C24H29N5O3S
  • H donors: 0 H acceptors: 4 LogP: 3.5 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)Cc1c(C)nc2n(c1C)nc(n2)SCC(=O)N1CCC2(CC1)OCCO2
  • InChi: 1S/C24H29N5O3S/c1-16-4-6-19(7-5-16)14-20-17(2)25-22-26-23(27-29(22)18(20)3)33-15-21(30)28-10-8-24(9-11-28)31-12-13-32-24/h4-7H,8-15H2,1-3H3
  • InChiKey: ZEUXQWDXSNQIHX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thio]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
  • 2-[[5,7-dimethyl-6-(4-methylbenzyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thio]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
  • MLS000519900
  • SMR000130315

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
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
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, 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 mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis 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
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB 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
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative 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
Neospora caninum hypothetical protein 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
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
Loa Loa (eye worm) inositol-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
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, 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
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
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 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
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 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
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 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis CMGC family protein kinase 0.0115 0.429 0.4022
Trichomonas vaginalis set domain proteins, putative 0.0233 1 1
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0449 0.059
Loa Loa (eye worm) inositol-1 0.0045 0.0895 0.0871
Giardia lamblia Kinase, CMGC MAPK 0.0115 0.429 0.5
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0115 0.429 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0157 0.0214
Onchocerca volvulus 0.0035 0.0449 0.0297
Trypanosoma brucei protein kinase, putative 0.0115 0.429 1
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0895 0.122
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.006 0.1618 0.1672
Schistosoma mansoni hypothetical protein 0.0043 0.0839 0.1956
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0115 0.429 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0449 0.0613
Mycobacterium ulcerans hypothetical protein 0.0035 0.0449 0.059
Loa Loa (eye worm) beta-lactamase 0.0035 0.0449 0.0345
Mycobacterium ulcerans lipase LipD 0.0035 0.0449 0.059
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0839 0.1144
Brugia malayi MAP kinase sur-1 0.0115 0.429 0.497
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0115 0.429 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0449 0.0465
Brugia malayi Matrixin family protein 0.0049 0.1103 0.1277
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0912 0.1057
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0895 0.0467
Trichomonas vaginalis CMGC family protein kinase 0.0115 0.429 0.4022
Loa Loa (eye worm) matrixin family protein 0.0118 0.4456 0.5072
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0912 0.1244
Loa Loa (eye worm) hypothetical protein 0.0035 0.0449 0.0345
Loa Loa (eye worm) matrix metalloproteinase 0.0049 0.1103 0.1116
Brugia malayi Matrixin family protein 0.0049 0.1103 0.1277
Loa Loa (eye worm) hypothetical protein 0.0049 0.1103 0.1116
Loa Loa (eye worm) hypothetical protein 0.0035 0.0449 0.0345
Schistosoma mansoni inositol monophosphatase 0.0045 0.0895 0.2086
Brugia malayi beta-lactamase family protein 0.0035 0.0449 0.0521
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0184 0.7617 1
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.006 0.1618 0.1874
Loa Loa (eye worm) hypothetical protein 0.0049 0.1103 0.1116
Trichomonas vaginalis CMGC family protein kinase 0.0115 0.429 0.4022
Mycobacterium leprae PROBABLE HYDROLASE 0.006 0.1618 0.2124
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0839 0.1956
Toxoplasma gondii ABC1 family protein 0.0035 0.0449 0.1048
Brugia malayi hypothetical protein 0.0043 0.0839 0.0972
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0449 0.0465
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0895 0.122
Onchocerca volvulus 0.0035 0.0449 0.0297
Loa Loa (eye worm) hypothetical protein 0.0035 0.0449 0.0345
Mycobacterium ulcerans hypothetical protein 0.0184 0.7617 1
Onchocerca volvulus Matrix metalloproteinase homolog 0.0108 0.3983 0.3887
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0912 0.2127
Mycobacterium tuberculosis Probable aminotransferase 0.0184 0.7617 0.7874
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0895 0.116
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0912 0.2127
Mycobacterium tuberculosis Conserved protein 0.0035 0.0449 0.0465
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0105 0.0143
Onchocerca volvulus 0.0049 0.1103 0.0961
Brugia malayi beta-lactamase 0.0035 0.0449 0.0521
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0184 0.7617 0.7874
Loa Loa (eye worm) hypothetical protein 0.0035 0.0449 0.0345
Mycobacterium tuberculosis Conserved protein 0.0035 0.0449 0.0465
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0178 0.7336 1
Onchocerca volvulus 0.0035 0.0449 0.0297
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0049 0.1103 0.257
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0449 0.0465
Onchocerca volvulus Matrilysin homolog 0.0108 0.3983 0.3887
Schistosoma mansoni inositol monophosphatase 0.0045 0.0895 0.2086
Brugia malayi Matrixin family protein 0.0118 0.4456 0.5161
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0449 0.0465
Brugia malayi beta-lactamase family protein 0.0035 0.0449 0.0521
Mycobacterium ulcerans hydrolase 0.006 0.1618 0.2124
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0184 0.7617 0.7505
Echinococcus multilocularis mitogen activated protein kinase 0.0115 0.429 0.5848
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0115 0.429 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0912 0.1244
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0178 0.7336 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0895 0.116
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0839 0.1144
Loa Loa (eye worm) hypothetical protein 0.006 0.1618 0.1724
Brugia malayi Pre-SET motif family protein 0.0205 0.8633 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0157 0.0366
Plasmodium vivax SET domain protein, putative 0.0029 0.0157 0.3491
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0449 0.0613
Schistosoma mansoni hypothetical protein 0.0069 0.2091 0.4873
Loa Loa (eye worm) hypothetical protein 0.0049 0.1103 0.1116
Brugia malayi Hemopexin family protein 0.0069 0.2091 0.2422
Schistosoma mansoni serine/threonine protein kinase 0.0115 0.429 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0912 0.0891
Echinococcus granulosus mitogen activated protein kinase 0.0115 0.429 0.5848
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0449 0.0465
Trichomonas vaginalis CMGC family protein kinase 0.0115 0.429 0.4022
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0115 0.429 1
Brugia malayi Matrixin family protein 0.0049 0.1103 0.1277
Loa Loa (eye worm) hypothetical protein 0.0035 0.0449 0.0345
Echinococcus multilocularis mitogen activated protein kinase 3 0.0115 0.429 0.5848
Echinococcus granulosus mitogen activated protein kinase 3 0.0115 0.429 0.5848
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0157 0.0366
Onchocerca volvulus Matrilysin homolog 0.0049 0.1103 0.0961
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0026 0 0.5
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0449 0.0465
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0449 0.0521
Plasmodium falciparum ornithine aminotransferase 0.0026 0 0.5
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0157 0.0214
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0912 0.1244
Brugia malayi Inositol-1 0.0045 0.0895 0.1037
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0895 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0115 0.429 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0449 1
Brugia malayi Pre-SET motif family protein 0.0029 0.0157 0.0182
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0895 0.0467
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0895 0.0467
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0895 0.116
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0669 0.0692
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0895 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0115 0.429 1
Loa Loa (eye worm) matrixin family protein 0.0108 0.3983 0.4514
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0449 0.0465
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0157 0.0366
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0895 0.2086
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0895 0.1175
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0157 0.0366
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0669 0.0878
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0449 0.059
Loa Loa (eye worm) hypothetical protein 0.0035 0.0449 0.0345
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0115 0.429 0.4877
Mycobacterium leprae Probable lipase LipE 0.0035 0.0449 0.059
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0895 0.116
Brugia malayi Matrixin family protein 0.0049 0.1103 0.1277
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0449 0.1048
Mycobacterium ulcerans beta-lactamase 0.0035 0.0449 0.059
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0449 0.0465
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0157 0.0366
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0449 0.1048
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0115 0.429 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0912 0.1244
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0226 0.9674 1
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0184 0.7617 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0157 0.0214
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0912 0.2127
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0449 0.0345
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0449 0.059
Onchocerca volvulus 0.0069 0.2091 0.1965
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0205 0.8633 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1472 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) 9.2 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 10 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

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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