Detailed information for compound 1537113

Basic information

Technical information
  • TDR Targets ID: 1537113
  • Name: prop-2-enyl (4R,6R)-6-(4-hydroxybutoxy)-4-[4- (trifluoromethyl)phenyl]-5,6-dihydro-4H-pyran -2-carboxylate
  • MW: 400.389 | Formula: C20H23F3O5
  • H donors: 1 H acceptors: 2 LogP: 4.25 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCOC(=O)C1=C[C@@H](C[C@@H](O1)OCCCCO)c1ccc(cc1)C(F)(F)F
  • InChi: 1S/C20H23F3O5/c1-2-10-27-19(25)17-12-15(13-18(28-17)26-11-4-3-9-24)14-5-7-16(8-6-14)20(21,22)23/h2,5-8,12,15,18,24H,1,3-4,9-11,13H2/t15-,18+/m0/s1
  • InChiKey: JJDXCJSOTMWUCQ-MAUKXSAKSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • allyl (4R,6R)-6-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyran-2-carboxylate
  • (4R,6R)-6-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyran-2-carboxylic acid allyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens vitamin D (1,25- dihydroxyvitamin D3) receptor Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 steroid hormone receptor vitamin D (1,25- dihydroxyvitamin D3) receptor 427 aa 416 aa 24.5 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi cytochrome P450, putative 0.0029 0.0084 1
Leishmania major cytochrome p450-like protein 0.0029 0.0084 1
Mycobacterium tuberculosis Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC 0.0643 0.2689 1
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0012 0.0609
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0029 0.0084 0.0287
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0084 0.2966
Echinococcus multilocularis GPCR, family 2 0.0019 0.0041 0.0495
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0029 0.0084 0.0314
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0012 0.0421
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0012 0.0145
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0012 0.0145
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0029 0.0084 0.0314
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0029 0.0084 0.0314
Toxoplasma gondii thioredoxin reductase 0.0011 0.0007 0.0007
Echinococcus multilocularis geminin 0.0205 0.0829 1
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0029 0.0084 0.0314
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0012 0.0145
Brugia malayi cytochrome P450 0.0029 0.0084 0.2966
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0012 0.0145
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0012 0.0421
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0012 0.0145
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0012 0.0145
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0029 0.0084 1
Echinococcus granulosus cytochrome P450 2K1 0.0029 0.0084 0.102
Schistosoma mansoni hypothetical protein 0.0041 0.0135 0.1627
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0029 0.0084 0.0287
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0049 0.0168 0.5907
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0041 0.1441
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0012 0.0145
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0029 0.0084 0.0314
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0029 0.0084 0.0314
Echinococcus granulosus GPCR family 2 0.0019 0.0041 0.0495
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0285 0.3438
Schistosoma mansoni hypothetical protein 0.0019 0.0041 0.0495
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0012 0.0145
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0012 0.0145
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0029 0.0084 0.0287
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0012 0.0145
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0012 0.0421
Mycobacterium ulcerans aldehyde dehydrogenase 0.0014 0.0021 0.0078
Schistosoma mansoni aldehyde dehydrogenase 0.0014 0.0021 0.0252
Onchocerca volvulus 0.0056 0.0197 1
Echinococcus multilocularis 0.0029 0.0084 0.102
Echinococcus granulosus tar DNA binding protein 0.0076 0.0285 0.3438
Brugia malayi Pre-SET motif family protein 0.0049 0.0168 0.5907
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0012 0.0145
Entamoeba histolytica cysteinyl-tRNA synthetase, putative 0.0009 0 0.5
Brugia malayi TAR-binding protein 0.0076 0.0285 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0012 0.0421
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0025 0.0068 0.0226
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0012 0.0421
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0012 0.0145
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0028 0.008 0.0046
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0029 0.0084 0.0314
Mycobacterium leprae putative cytochrome p450 0.0029 0.0084 0.0063
Brugia malayi Cytochrome P450 family protein 0.0029 0.0084 0.2966
Brugia malayi Thioredoxin reductase 0.0011 0.0007 0.0262
Loa Loa (eye worm) glutathione reductase 0.0011 0.0007 0.0262
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0012 0.0421
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0029 0.0084 0.0314
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0012 0.0421
Schistosoma mansoni hypothetical protein 0.0205 0.0829 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0012 0.0145
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0029 0.0084 0.0287
Plasmodium vivax glutathione reductase, putative 0.0011 0.0007 1
Brugia malayi nuclear hormone receptor 0.0012 0.0012 0.0421
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0012 0.0145
Loa Loa (eye worm) hypothetical protein 0.006 0.0216 0.7572
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0285 0.3438
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0012 0.0145
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0029 0.0084 0.0314
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0135 0.4734
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0029 0.0084 1
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0029 0.0084 0.0287
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0029 0.0084 0.0287
Giardia lamblia Cysteinyl-tRNA synthetase 0.0009 0 0.5
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0029 0.0084 1
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.0643 0.2689 1
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0029 0.0084 0.0314
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0029 0.0084 0.0314
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0029 0.0084 0.0287
Loa Loa (eye worm) hypothetical protein 0.0012 0.0012 0.0421
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0012 0.0421
Trypanosoma cruzi cytochrome P450, putative 0.0029 0.0084 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0012 0.0421
Brugia malayi steroid hormone receptor 0.0012 0.0012 0.0421
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0012 0.0145
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0012 0.0145
Mycobacterium tuberculosis Probable oxidoreductase 0.0028 0.008 0.0271
Brugia malayi ecdysteroid receptor 0.0012 0.0012 0.0421
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0025 0.0068 0.0226
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0012 0.0421
Loa Loa (eye worm) hypothetical protein 0.0012 0.0012 0.0421
Mycobacterium ulcerans aldehyde dehydrogenase 0.0014 0.0021 0.0078
Brugia malayi RNA binding protein 0.0076 0.0285 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0041 0.0495
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0029 0.0084 0.0287
Loa Loa (eye worm) hypothetical protein 0.0012 0.0012 0.0421
Leishmania major cytochrome p450-like protein 0.0029 0.0084 1
Wolbachia endosymbiont of Brugia malayi cysteinyl-tRNA synthetase 0.0009 0 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0012 0.0145
Mycobacterium tuberculosis Probable reductase 0.0025 0.0068 0.0226
Schistosoma mansoni hypothetical protein 0.0205 0.0829 1
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0029 0.0084 0.0287
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0285 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0025 0.0068 0.0226
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0029 0.0084 0.0314
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0012 0.0145
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0012 0.0145
Mycobacterium leprae Probable cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC 0.0643 0.2689 1
Plasmodium falciparum glutathione reductase 0.0011 0.0007 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0012 0.0609
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0014 0.0021 0.0252
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0084 0.2966
Loa Loa (eye worm) hypothetical protein 0.0012 0.0012 0.0421
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0029 0.0084 0.0314
Loa Loa (eye worm) RNA binding protein 0.0076 0.0285 1
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0029 0.0084 0.0314
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0029 0.0084 0.0287
Plasmodium falciparum thioredoxin reductase 0.0011 0.0007 1
Treponema pallidum cysteinyl-tRNA synthetase 0.0009 0 0.5
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0029 0.0084 0.0314
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0029 0.0084 0.0314
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0285 0.3438
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0029 0.0084 0.0287
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0025 0.0068 0.0226
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0012 0.0145
Trypanosoma brucei trypanothione reductase 0.0011 0.0007 0.0885
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0285 0.3438
Loa Loa (eye worm) thioredoxin reductase 0.0011 0.0007 0.0262
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0012 0.0421
Mycobacterium ulcerans aldehyde dehydrogenase 0.0014 0.0021 0.0078
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0029 0.0084 0.0287
Brugia malayi Cytochrome P450 family protein 0.0029 0.0084 0.2966
Loa Loa (eye worm) hypothetical protein 0.0041 0.0135 0.4734
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0012 0.0145
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0029 0.0084 1
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0029 0.0084 0.0287
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0029 0.0084 0.0287
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0216 0.7572
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0285 1
Schistosoma mansoni hypothetical protein 0.0019 0.0041 0.0495
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0029 0.0084 0.0287
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0012 0.0145
Plasmodium vivax thioredoxin reductase, putative 0.0011 0.0007 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0012 0.0145
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0012 0.0421
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0012 0.0421
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0012 0.0145
Mycobacterium tuberculosis Probable dehydrogenase 0.0025 0.0068 0.0226
Loa Loa (eye worm) hypothetical protein 0.0012 0.0012 0.0421
Loa Loa (eye worm) hypothetical protein 0.0019 0.0041 0.1441
Schistosoma mansoni hypothetical protein 0.0019 0.0041 0.0495
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0029 0.0084 0.0287
Loa Loa (eye worm) cytochrome P450 0.0029 0.0084 0.2966
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0012 0.0421
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0028 0.008 0.0271
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0012 0.0145
Schistosoma mansoni coup transcription factor 0.0012 0.0012 0.0145
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0041 0.1441
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0041 0.0495
Chlamydia trachomatis cysteine--tRNA ligase 0.0009 0 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0029 0.0084 0.0287
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0012 0.0421
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0029 0.0084 0.0314
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0029 0.0084 0.0287
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0012 0.0145
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0029 0.0084 0.0314
Trypanosoma cruzi trypanothione reductase, putative 0.0011 0.0007 0.0885
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0012 0.0421
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0216 0.7572
Schistosoma mansoni hypothetical protein 0.0029 0.0084 0.102
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0012 0.0421
Schistosoma mansoni aldehyde dehydrogenase 0.0014 0.0021 0.0252
Brugia malayi Cytochrome P450 family protein 0.0029 0.0084 0.2966
Trypanosoma brucei cytochrome P450, putative 0.0029 0.0084 1
Mycobacterium leprae Conserved hypothetical protein 0.0029 0.0084 0.0063
Brugia malayi nuclear receptor NHR-88 0.0012 0.0012 0.0421
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0041 0.0495
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0012 0.0421
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0041 0.0495
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0014 0.0021 0.005
Echinococcus granulosus thioredoxin glutathione reductase 0.0011 0.0007 0.009
Echinococcus granulosus geminin 0.0205 0.0829 1
Onchocerca volvulus 0.0012 0.0012 0.0609
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0029 0.0084 0.0314
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0285 0.3438
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0012 0.0609
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0029 0.0084 0.0287
Loa Loa (eye worm) hypothetical protein 0.0012 0.0012 0.0421
Leishmania major trypanothione reductase 0.0011 0.0007 0.0885
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0029 0.0084 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0285 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0012 0.0421
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0028 0.008 0.0271
Schistosoma mansoni cytochrome P450 0.0029 0.0084 0.102
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0012 0.0421
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0041 0.1441
Leishmania major cytochrome p450-like protein 0.0029 0.0084 1
Brugia malayi glutathione reductase 0.0011 0.0007 0.0262
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0029 0.0084 0.0314
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0012 0.0421
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0012 0.0421
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0012 0.0421
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0012 0.0421
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0029 0.0084 0.0314
Trichomonas vaginalis set domain proteins, putative 0.0056 0.0197 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0012 0.0145
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0014 0.0021 0.2475
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0285 0.3438
Schistosoma mansoni hypothetical protein 0.0019 0.0041 0.0495
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0084 0.2966
Brugia malayi Cytochrome P450 family protein 0.0029 0.0084 0.2966
Loa Loa (eye worm) hypothetical protein 0.0012 0.0012 0.0421
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0012 0.0421
Loa Loa (eye worm) CYP4Cod1 0.0029 0.0084 0.2966
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0012 0.0145
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0014 0.0021 0.0252
Toxoplasma gondii aldehyde dehydrogenase 0.0014 0.0021 0.0021
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0012 0.0145
Echinococcus multilocularis thioredoxin glutathione reductase 0.0011 0.0007 0.009
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0029 0.0084 0.0287
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0216 0.7572

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2593 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) 3.5481 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (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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