Detailed information for compound 922797

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 450.957 | Formula: C26H27ClN2O3
  • H donors: 3 H acceptors: 2 LogP: 4.11 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@]4(O)Cc2c1[nH]c1c2cccc1)CC1CC1.Cl
  • InChi: 1S/C26H26N2O3.ClH/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14;/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2;1H/t20-,24+,25+,26-;/m1./s1
  • InChiKey: KNJKRQXCFJCQHC-IDRHMUJXSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Mus musculus opioid receptor, mu 1 Starlite/ChEMBL References
Rattus norvegicus Mu opioid receptor Starlite/ChEMBL References
Cavia porcellus Kappa opioid receptor Starlite/ChEMBL References
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Mus musculus opioid receptor, delta 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily Get druggable targets OG5_139759 All targets in OG5_139759
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus tm gpcr rhodopsin Get druggable targets OG5_139759 All targets in OG5_139759
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum ko:K04255 opsin 4 (melanopsin), putative Kappa opioid receptor   380 aa 352 aa 20.2 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Mu opioid receptor   398 aa 334 aa 24.9 %
Echinococcus multilocularis allatostatin A receptor Mu opioid receptor   398 aa 341 aa 29.3 %
Echinococcus multilocularis growth hormone secretagogue receptor type 1 Kappa opioid receptor   380 aa 306 aa 21.2 %
Onchocerca volvulus Mitogen-activated protein kinase kinase kinase 8 homolog Kappa opioid receptor   380 aa 395 aa 20.3 %
Onchocerca volvulus Phosphoinositide 3-kinase adapter subunit homolog Kappa opioid receptor   380 aa 323 aa 22.6 %
Onchocerca volvulus Programmed cell death protein 5 homolog Mu opioid receptor   398 aa 323 aa 24.1 %
Onchocerca volvulus Mu opioid receptor   398 aa 376 aa 26.3 %
Brugia malayi hypothetical protein Kappa opioid receptor   380 aa 319 aa 21.6 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Kappa opioid receptor   380 aa 313 aa 26.2 %
Echinococcus granulosus thyrotropin releasing hormone receptor Mu opioid receptor   398 aa 370 aa 27.3 %
Onchocerca volvulus Mu opioid receptor   398 aa 356 aa 23.9 %
Schistosoma mansoni rhodopsin-like orphan GPCR Kappa opioid receptor   380 aa 379 aa 22.4 %
Onchocerca volvulus Mu opioid receptor   398 aa 333 aa 26.4 %
Echinococcus granulosus somatostatin receptor Kappa opioid receptor   380 aa 342 aa 19.6 %
Schistosoma japonicum Rhodopsin, putative Mu opioid receptor   398 aa 328 aa 23.2 %
Brugia malayi GnHR receptor homolog Kappa opioid receptor   380 aa 341 aa 20.2 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Mu opioid receptor   398 aa 334 aa 23.1 %
Onchocerca volvulus Phospholipase d-related homolog Kappa opioid receptor   380 aa 326 aa 20.9 %
Onchocerca volvulus Kappa opioid receptor   380 aa 310 aa 24.2 %
Echinococcus granulosus allatostatin A receptor Mu opioid receptor   398 aa 346 aa 29.5 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Mu opioid receptor   398 aa 397 aa 22.7 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Mu opioid receptor   398 aa 371 aa 27.0 %
Brugia malayi ORL1-like opioid receptor Kappa opioid receptor   380 aa 312 aa 25.3 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Brugia malayi hypothetical protein Kappa opioid receptor   380 aa 320 aa 20.6 %
Schistosoma mansoni neuropeptide F-like receptor Mu opioid receptor   398 aa 335 aa 20.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus Diacylglycerol kinase zeta 0.0120513 0.0107868 0.0107868
Schistosoma mansoni sphingosine kinase A B 0.216505 1 1
Echinococcus granulosus acylglycerol kinase mitochondrial 0.0120513 0.0107868 0.0107868
Echinococcus multilocularis acylglycerol kinase, mitochondrial 0.0120513 0.0107868 0.0107868
Leishmania major carbonic anhydrase-like protein 0.026452 0.0804621 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.026452 0.0804621 1
Plasmodium falciparum diacylglycerol kinase, putative 0.0120513 0.0107868 1
Mycobacterium tuberculosis Conserved protein 0.216505 1 1
Entamoeba histolytica rodhanase-like domain containing protein 0.0234586 0.065979 0.0557941
Entamoeba histolytica rodhanase-like domain containing protein 0.0234586 0.065979 0.0557941
Onchocerca volvulus 0.0234586 0.065979 1
Brugia malayi diacylglycerol kinase 0.0120513 0.0107868 0.134061
Loa Loa (eye worm) cytochrome P450 family protein 0.020216 0.0502905 0.0502905
Echinococcus multilocularis m phase inducer phosphatase(cdc25) 0.0234586 0.065979 0.065979
Toxoplasma gondii diacylglycerol kinase accessory domain (presumed) domain-containing protein 0.0120513 0.0107868 1
Echinococcus granulosus carbonic anhydrase II 0.026452 0.0804621 0.0804621
Echinococcus multilocularis Diacylglycerol kinase theta 0.0120513 0.0107868 0.0107868
Trichomonas vaginalis cdc25b, putative 0.0234586 0.065979 1
Schistosoma mansoni diacylglycerol kinase zeta iota 0.0120513 0.0107868 0.0107868
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0234586 0.065979 1
Trichomonas vaginalis cdc25b, putative 0.0234586 0.065979 1
Onchocerca volvulus 0.0234586 0.065979 1
Entamoeba histolytica hypothetical protein, conserved 0.216505 1 1
Echinococcus granulosus Diacylglycerol kinase theta 0.0120513 0.0107868 0.0107868
Loa Loa (eye worm) hypothetical protein 0.0234586 0.065979 0.065979
Echinococcus granulosus ceramide kinase 0.0120513 0.0107868 0.0107868
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0234586 0.065979 1
Trichomonas vaginalis cdc25c, putative 0.0234586 0.065979 1
Onchocerca volvulus 0.0234586 0.065979 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.026452 0.0804621 1
Trypanosoma brucei carbonic anhydrase-like protein 0.026452 0.0804621 1
Toxoplasma gondii diacylglycerol kinase catalytic domain-containing protein 0.0120513 0.0107868 1
Echinococcus multilocularis carbonic anhydrase II 0.026452 0.0804621 0.0804621
Brugia malayi Diacylglycerol kinase protein 2 0.0120513 0.0107868 0.134061
Echinococcus multilocularis sphingosine kinase 1 0.216505 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0630741 0.257652 0.257652
Plasmodium vivax diacylglycerol kinase, putative 0.0120513 0.0107868 0.5
Loa Loa (eye worm) eye-specific diacylglycerol kinase 0.0120513 0.0107868 0.0107868
Echinococcus granulosus tm gpcr rhodopsin 0.0630741 0.257652 0.257652
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.026452 0.0804621 0.0804621
Brugia malayi Cytochrome P450 family protein 0.020216 0.0502905 0.625021
Loa Loa (eye worm) hypothetical protein 0.0234586 0.065979 0.065979
Loa Loa (eye worm) hypothetical protein 0.0214983 0.0564946 0.0564946
Plasmodium falciparum diacylglycerol kinase, putative 0.0120513 0.0107868 1
Loa Loa (eye worm) diacylglycerol kinase 2 0.0120513 0.0107868 0.0107868
Brugia malayi Ceramide kinase 0.0120513 0.0107868 0.134061
Brugia malayi Rhodanese-like domain containing protein 0.0234586 0.065979 0.820002
Schistosoma mansoni m-phase inducer phosphatase(cdc25) 0.0234586 0.065979 0.065979
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.026452 0.0804621 1
Onchocerca volvulus 0.0234586 0.065979 1
Brugia malayi Rhodanese-like domain containing protein 0.0234586 0.065979 0.820002
Loa Loa (eye worm) hypothetical protein 0.0214983 0.0564946 0.0564946
Schistosoma mansoni sphingoid long chain base kinase 0.216505 1 1
Loa Loa (eye worm) carbonic anhydrase 3 0.026452 0.0804621 0.0804621
Schistosoma mansoni diacylglycerol kinase theta 0.0120513 0.0107868 0.0107868
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.026452 0.0804621 0.0804621
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0234586 0.065979 1
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0234586 0.065979 1
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0234586 0.065979 1
Loa Loa (eye worm) hypothetical protein 0.0120513 0.0107868 0.0107868
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.026452 0.0804621 0.0804621
Brugia malayi diacylglycerol kinase 0.0120513 0.0107868 0.134061
Brugia malayi hypothetical protein 0.0120513 0.0107868 0.134061
Loa Loa (eye worm) hypothetical protein 0.216505 1 1
Schistosoma mansoni diacylglycerol kinase theta 0.0120513 0.0107868 0.0107868
Entamoeba histolytica rodhanase-like domain containing protein 0.0234586 0.065979 0.0557941
Echinococcus multilocularis ceramide kinase 0.0120513 0.0107868 0.0107868
Loa Loa (eye worm) hypothetical protein 0.0120513 0.0107868 0.0107868
Brugia malayi Eye-specific diacylglycerol kinase 0.0120513 0.0107868 0.134061
Schistosoma mansoni hypothetical protein 0.0120513 0.0107868 0.0107868
Mycobacterium ulcerans hypothetical protein 0.216505 1 1
Plasmodium vivax diacylglycerol kinase, putative 0.0120513 0.0107868 0.5
Loa Loa (eye worm) hypothetical protein 0.0120513 0.0107868 0.0107868
Echinococcus granulosus sphingosine kinase 1 0.216505 1 1
Schistosoma mansoni proteasome subunit alpha 6 (T01 family) 0.0120513 0.0107868 0.0107868
Brugia malayi Putative carbonic anhydrase 5 precursor 0.026452 0.0804621 1
Echinococcus multilocularis Diacylglycerol kinase zeta 0.0120513 0.0107868 0.0107868
Loa Loa (eye worm) ceramide kinase 0.0120513 0.0107868 0.0107868
Toxoplasma gondii diacylglycerol kinase, putative 0.0120513 0.0107868 1
Echinococcus granulosus m phase inducer phosphatasecdc25 0.0234586 0.065979 0.065979

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = -5.2 Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay ChEMBL. 19734910
IC50 (functional) = -5.1 Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR green assay ChEMBL. 19734910
IC50 (functional) = -5 Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR green assay ChEMBL. 19734910
IC50 (functional) = -5 Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR green assay ChEMBL. 19734910
IC50 (functional) = -5 Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR green assay ChEMBL. 19734910
IC50 (functional) = -4.9 Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR green assay ChEMBL. 19734910
IC50 (functional) = -4.8 Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR green assay ChEMBL. 19734910
Inhibition (functional) = 16 % Percentage inhibition of contraction height in mouse vas deferens (MVD) at 1 uM ChEMBL. 11311071
Ke (functional) = 0.49 nM Antagonist activity of compound in mouse vas deferens tested with DPDPE ChEMBL. 11311071
Ki (binding) = 7.78 Displacement of [3H]-DAMGO from mouse MOR expressed in HEK293 cells ChEMBL. 23585918
Ki (binding) = 8.26 Displacement of [3H]-DPDPE from mouse MOR/DOR expressed in HEK293 cells ChEMBL. 23585918
Ki (binding) = 8.46 Displacement of [3H]-DAMGO from mouse MOR/DOR expressed in HEK293 cells ChEMBL. 23585918
Ki (binding) = 8.58 Displacement of [3H]-DPDPE from mouse DOR expressed in HEK293 cells ChEMBL. 23585918
Ki (functional) = 0.03 nM Antagonist activity of compound on agonist stimulated [35S]-GTP-gammaS binding on delta-opioid receptor ChEMBL. 11311071
Ki (binding) = 0.22 nM Displacement of [3H]-DADLE at delta-opioid receptor ChEMBL. 11311071
Ki (functional) = 4.3 nM Antagonist activity of compound on agonist stimulated [35S]-GTP-gammaS binding on mu-opioid receptor ChEMBL. 11311071
Ki (functional) = 4.7 nM Antagonist activity of compound on U50,488H stimulated [35S]-GTP-gammaS binding to opioid receptor kappa 1 ChEMBL. 11311071
Ki (binding) = 27 nM Displacement of [3H]-DAMGO at mu-opioid receptor ChEMBL. 11311071
Ki (binding) = 30 nM Displacement of [3H]U69,593 at opioid receptor kappa 1 ChEMBL. 11311071
Potency (functional) 0.0891 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 16.3601 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 28.1838 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) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 19734910

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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