Detailed information for compound 1390102

Basic information

Technical information
  • TDR Targets ID: 1390102
  • Name: methyl 2-[(5-furan-2-yl1,2-oxazole-3-carbonyl )amino]benzoate
  • MW: 312.277 | Formula: C16H12N2O5
  • H donors: 1 H acceptors: 3 LogP: 2.7 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccccc1NC(=O)c1noc(c1)c1ccco1
  • InChi: 1S/C16H12N2O5/c1-21-16(20)10-5-2-3-6-11(10)17-15(19)12-9-14(23-18-12)13-7-4-8-22-13/h2-9H,1H3,(H,17,19)
  • InChiKey: UOHUDWBFUHOEKF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 2-[[5-(2-furyl)isoxazole-3-carbonyl]amino]benzoate
  • 2-[[[5-(2-furyl)-3-isoxazolyl]-oxomethyl]amino]benzoic acid methyl ester
  • 2-[[5-(2-furyl)isoxazole-3-carbonyl]amino]benzoic acid methyl ester
  • methyl 2-[(5-furan-2-yl-1,2-oxazol-3-yl)carbonylamino]benzoate
  • IDI1_004683
  • ChemDiv2_005968

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens amyloid beta (A4) precursor protein-binding, family A, member 1 No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens calcium channel, voltage-dependent, N type, alpha 1B subunit Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Toxoplasma gondii transporter, cation channel family protein Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent P/Q-type calcium channel subunit alpha-1A, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis voltage dependent calcium channel type d subunit Get druggable targets OG5_126791 All targets in OG5_126791
Brugia malayi hypothetical protein Get druggable targets OG5_130749 All targets in OG5_130749
Echinococcus granulosus voltage dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus granulosus voltage dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum expressed protein Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) voltage-dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Voltage-dependent N-type calcium channel subunit alpha-1B, putative Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus granulosus amyloid beta A4 protein Get druggable targets OG5_130749 All targets in OG5_130749
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Brugia malayi abnormal cell lineage protein 10 (Protein lin-10), putative Get druggable targets OG5_130749 All targets in OG5_130749
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis voltage dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum ko:K04849 calcium channel, voltage-dependent, N type, alpha 1B subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni amyloid beta A4 protein related Get druggable targets OG5_130749 All targets in OG5_130749
Schistosoma mansoni high voltage-activated calcium channel Cav1 Get druggable targets OG5_126791 All targets in OG5_126791
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Muscle calcium channel subunit alpha-1, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum ko:K04531 amyloid beta (A4) precursor protein-binding, family A, member 1, putative Get druggable targets OG5_130749 All targets in OG5_130749
Trypanosoma brucei gambiense calcium channel protein, putative Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) X11 protein Get druggable targets OG5_130749 All targets in OG5_130749
Schistosoma japonicum Voltage-dependent P/Q-type calcium channel subunit alpha-1A, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis voltage dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Probable voltage-dependent R-type calcium channel subunit alpha-1E, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent P/Q-type calcium channel subunit alpha-1A, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent P/Q-type calcium channel subunit alpha-1A, putative Get druggable targets OG5_126791 All targets in OG5_126791
Neospora caninum hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma mansoni voltage-gated cation channel Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis amyloid beta A4 protein Get druggable targets OG5_130749 All targets in OG5_130749
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130749 All targets in OG5_130749
Schistosoma japonicum Voltage-dependent P/Q-type calcium channel subunit alpha-1A, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent calcium channel type D subunit alpha-1, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent calcium channel type A subunit alpha-1, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum expressed protein Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum ko:K04850 calcium channel, voltage-dependent, L type, alpha 1C subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis voltage dependent L type calcium channel subunit Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis voltage dependent L type calcium channel subunit Get druggable targets OG5_126791 All targets in OG5_126791
Trypanosoma congolense Voltage-dependent calcium channel subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum ko:K04344 calcium channel, voltage-dependent, P/Q type, alpha 1A subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum ko:K04853 calcium channel, voltage-dependent, L type, alpha 1F subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis voltage dependent calcium channel type d subunit Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent calcium channel type D subunit alpha-1, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent calcium channel type A subunit alpha-1, putative Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma mansoni high voltage-activated calcium channel Cav2A Get druggable targets OG5_126791 All targets in OG5_126791
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0935 0.062
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0935 0.062
Brugia malayi hypothetical protein 0.008 0.1674 0.1906
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0234 0.6326 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0083 0.1777 1
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0116 0.2772 0.2772
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0935 0.0935
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0083 0.1777 0.2809
Echinococcus granulosus ring and YY1 binding protein 0.0083 0.1777 0.1777
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0083 0.1777 0.2086
Loa Loa (eye worm) hypothetical protein 0.0116 0.2772 0.4382
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0083 0.1777 0.2086
Schistosoma mansoni voltage-gated cation channel 0.0116 0.2772 0.3817
Schistosoma mansoni hypothetical protein 0.0083 0.1777 0.2086
Loa Loa (eye worm) hypothetical protein 0.0083 0.1777 0.2809
Echinococcus multilocularis voltage dependent calcium channel 0.0116 0.2772 0.2329
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0116 0.2772 0.2772
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0083 0.1777 0.1713
Trypanosoma cruzi hypothetical protein, conserved 0.0083 0.1777 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0083 0.1777 1
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0116 0.2772 0.2329
Echinococcus multilocularis sodium channel protein 0.0049 0.0753 0.0185
Loa Loa (eye worm) calcium channel 0.0116 0.2772 0.4382
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0083 0.1777 1
Echinococcus granulosus Zinc finger RanBP2 type 0.0083 0.1777 0.1777
Trypanosoma brucei hypothetical protein, conserved 0.0083 0.1777 1
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0083 0.1777 0.1272
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0083 0.1777 0.2086
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0049 0.0753 0.0753
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0116 0.2772 0.3817
Trypanosoma brucei hypothetical protein, conserved 0.0083 0.1777 1
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0234 0.6326 1
Toxoplasma gondii ran binding protein 0.0083 0.1777 0.2809
Entamoeba histolytica hypothetical protein 0.0043 0.0579 0.5
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0116 0.2772 0.2329
Loa Loa (eye worm) hypothetical protein 0.008 0.1674 0.2646
Leishmania major hypothetical protein, conserved 0.0083 0.1777 0.5
Echinococcus granulosus SWI:SNF matrix associated 0.0234 0.6326 0.6326
Entamoeba histolytica hypothetical protein 0.0043 0.0579 0.5
Echinococcus multilocularis tumor protein p63 0.0355 1 1
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0837 0.0449
Schistosoma mansoni amyloid beta A4 protein related 0.0083 0.1772 0.2077
Schistosoma mansoni zinc finger protein 0.0083 0.1777 0.2086
Trypanosoma cruzi WLM domain containing protein, putative 0.0083 0.1777 1
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0116 0.2772 0.2329
Schistosoma mansoni hypothetical protein 0.0234 0.6326 1
Onchocerca volvulus 0.0234 0.6326 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0935 0.1478
Loa Loa (eye worm) hypothetical protein 0.0083 0.1777 0.2809
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0083 0.1777 1
Brugia malayi brahma associated protein 60 kDa 0.0234 0.6326 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0935 0.0935
Brugia malayi YY1-associated factor 2 0.0083 0.1777 0.2086
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0234 0.6326 0.6101
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0234 0.6326 1
Onchocerca volvulus 0.0083 0.1777 0.1713
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0935 0.062
Echinococcus multilocularis zinc finger protein Ran binding 0.0083 0.1777 0.1272
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0083 0.1777 1
Trypanosoma cruzi hypothetical protein, conserved 0.0083 0.1777 1
Onchocerca volvulus 0.0083 0.1777 0.1713
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0234 0.6326 0.6326
Schistosoma mansoni brg-1 associated factor 0.0234 0.6326 1
Plasmodium vivax hypothetical protein, conserved 0.0234 0.6326 0.5
Echinococcus multilocularis amyloid beta A4 protein 0.0083 0.1772 0.1267
Leishmania major hypothetical protein, conserved 0.0083 0.1777 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0935 0.062
Schistosoma mansoni hypothetical protein 0.0234 0.6326 1
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0116 0.2772 0.3817
Echinococcus granulosus amyloid beta A4 protein 0.0083 0.1772 0.1772
Echinococcus granulosus zinc finger protein Ran binding 0.0083 0.1777 0.1777
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0083 0.1777 0.2086
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0579 0.0579
Loa Loa (eye worm) hypothetical protein 0.0083 0.1777 0.2809
Brugia malayi SWIB/MDM2 domain containing protein 0.0234 0.6326 1
Trichomonas vaginalis conserved hypothetical protein 0.0234 0.6326 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0083 0.1777 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0234 0.6326 0.6101
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0083 0.1777 1
Leishmania major hypothetical protein, conserved 0.0083 0.1777 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.0837 0.1323
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0116 0.2772 0.2772
Echinococcus multilocularis SWI:SNF matrix associated 0.0234 0.6326 0.6101
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0083 0.1777 0.1272
Echinococcus multilocularis SWI:SNF matrix associated 0.0234 0.6326 0.6101
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0234 0.6326 1
Schistosoma mansoni RNA binding protein 0.0083 0.1777 0.2086
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0234 0.6326 1
Leishmania major hypothetical protein, conserved 0.0083 0.1777 0.5
Chlamydia trachomatis SWIB complex protein 0.0234 0.6326 0.5
Brugia malayi brahma associated protein 60 kDa 0.0234 0.6326 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0083 0.1777 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0935 0.0378
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0935 0.0378
Onchocerca volvulus 0.0083 0.1777 0.1713
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0116 0.2772 0.2329
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0116 0.2772 0.3817
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0083 0.1777 0.1777
Schistosoma mansoni hypothetical protein 0.0234 0.6326 1
Schistosoma mansoni fusion 0.0083 0.1777 0.2086
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0234 0.6326 0.5
Echinococcus multilocularis ring and YY1 binding protein 0.0083 0.1777 0.1272
Echinococcus granulosus voltage dependent calcium channel 0.0116 0.2772 0.2772
Onchocerca volvulus 0.0083 0.1777 0.1713
Brugia malayi abnormal cell lineage protein 10 (Protein lin-10), putative 0.0074 0.1508 0.1616
Loa Loa (eye worm) brahma associated protein 0.0234 0.6326 1
Echinococcus multilocularis voltage dependent calcium channel 0.0116 0.2772 0.2329
Loa Loa (eye worm) X11 protein 0.0083 0.1772 0.2801
Loa Loa (eye worm) hypothetical protein 0.0083 0.1777 0.2809
Entamoeba histolytica hypothetical protein 0.0043 0.0579 0.5
Leishmania major hypothetical protein, conserved 0.0083 0.1777 0.5
Trypanosoma cruzi WLM domain containing protein, putative 0.0083 0.1777 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.1777 0.2809
Chlamydia trachomatis DNA topoisomerase I 0.0234 0.6326 0.5
Schistosoma mansoni TRABID protein (C64 family) 0.0083 0.1777 0.2086
Entamoeba histolytica hypothetical protein 0.0043 0.0579 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 13.7 um PUBCHEM_BIOASSAY: Homogeneous Time-Resolved Fluorescence Resonance Energy Transfer (HTRF) Assay. Confirmatory Screen for inhibitors of association between Mint1-PDZ domains and N-type Ca2+ channel carboxyl-terminal peptide (NC peptide). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (binding) > 50 uM PUBCHEM_BIOASSAY: uHTS Homogeneous Terbium Time-Resolved Fluorescence Resonance Energy Transfer (HTRF) Assay. Confirmatory Screen for inhibitors of association between Mint1-PDZ domains and N-type Ca2+ channel carboxyl-terminal peptide (NC peptide). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2093, AID2489, AID2496, AID434980] ChEMBL. No reference
Potency (functional) 1.122 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.5929 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) 3.2643 uM PubChem BioAssay. qHTS of Nrf2 Activators: Hit Validation in Primary Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 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
Potency (functional) 20.7865 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 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) 79.4328 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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