Detailed information for compound 1207738

Basic information

Technical information
  • TDR Targets ID: 1207738
  • Name: (3-fluorophenyl)-[(5S)-3-(pyridin-4-ylmethyl) -3,9-diazaspiro[4.5]decan-9-yl]methanone
  • MW: 353.433 | Formula: C21H24FN3O
  • H donors: 0 H acceptors: 2 LogP: 2.68 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)C(=O)N1CCC[C@]2(C1)CCN(C2)Cc1ccncc1
  • InChi: 1S/C21H24FN3O/c22-19-4-1-3-18(13-19)20(26)25-11-2-7-21(16-25)8-12-24(15-21)14-17-5-9-23-10-6-17/h1,3-6,9-10,13H,2,7-8,11-12,14-16H2/t21-/m0/s1
  • InChiKey: BEOFKPYKDYIIRX-NRFANRHFSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (3-fluorophenyl)-[(5S)-3-(4-pyridylmethyl)-3,9-diazaspiro[4.5]decan-9-yl]methanone
  • PCOP-135172
  • NCGC00010421

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0042 0.9396 1
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.3376 0.293
Brugia malayi ecdysteroid receptor 0.0012 0.1418 0.1418
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.1418 0.1418
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.1418 0.1418
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.1418 0.1418
Loa Loa (eye worm) hypothetical protein 0.0012 0.1418 0.1418
Schistosoma mansoni coup transcription factor 0.0012 0.1418 0.1418
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.1418 0.1418
Schistosoma mansoni cytochrome P450 0.0009 0.063 0.063
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 1 1
Brugia malayi cytochrome P450 0.0009 0.063 0.063
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.1418 0.1418
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.1418 0.1418
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.1418 0.1418
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.1418 0.1418
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.1418 0.1418
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.1418 0.1418
Trichomonas vaginalis conserved hypothetical protein 0.0045 1 1
Onchocerca volvulus 0.0012 0.1418 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.1418 0.1418
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.1418 0.1418
Leishmania major cytochrome p450-like protein 0.0019 0.3376 0.293
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.1418 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.1418 0.1418
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 1 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.9396 0.9355
Brugia malayi steroid hormone receptor 0.0012 0.1418 0.1418
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.3376 0.3376
Brugia malayi Cytochrome P450 family protein 0.0032 0.6609 0.6609
Schistosoma mansoni thyroid hormone receptor 0.0012 0.1418 0.1418
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.1418 0.1418
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.1418 0.1418
Loa Loa (eye worm) hypothetical protein 0.0012 0.1418 0.1418
Loa Loa (eye worm) hypothetical protein 0.0012 0.1418 0.1418
Echinococcus granulosus cytochrome P450 2K1 0.0009 0.063 0.063
Echinococcus multilocularis inositol monophosphatase 1 0.0042 0.9396 0.9396
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 1 1
Loa Loa (eye worm) inositol-1 0.0042 0.9396 0.9396
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 1 1
Schistosoma mansoni inositol monophosphatase 0.0042 0.9396 0.9396
Schistosoma mansoni hypothetical protein 0.0009 0.063 0.063
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.1418 0.1418
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.1418 0.5
Brugia malayi Cytochrome P450 family protein 0.0019 0.3376 0.3376
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.1418 0.1418
Loa Loa (eye worm) hypothetical protein 0.0045 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.3376 0.293
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.1418 0.1418
Loa Loa (eye worm) hypothetical protein 0.0012 0.1418 0.1418
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.1418 0.1418
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0038 0.8245 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.1418 0.1418
Schistosoma mansoni nuclear hormone receptor 0.0012 0.1418 0.1418
Echinococcus granulosus inositol monophosphatase 1 0.0042 0.9396 0.9396
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.1418 0.1418
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.1418 0.1418
Echinococcus granulosus FTZ F1 alpha 0.0012 0.1418 0.1418
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0042 0.9396 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.1418 0.1418
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.1418 0.1418
Brugia malayi nuclear hormone receptor 0.0012 0.1418 0.1418
Schistosoma mansoni inositol monophosphatase 0.0042 0.9396 0.9396
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.1418 0.1418
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 1 1
Echinococcus multilocularis 0.0009 0.063 0.063
Brugia malayi nuclear receptor NHR-88 0.0012 0.1418 0.1418
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.1418 0.1418
Loa Loa (eye worm) hypothetical protein 0.0012 0.1418 0.1418
Brugia malayi Cytochrome P450 family protein 0.0019 0.3376 0.3376
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.1418 0.1418
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 1 0.5
Brugia malayi Cytochrome P450 family protein 0.0009 0.063 0.063
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.9396 0.9355
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.1418 0.1418
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.1418 0.1418
Loa Loa (eye worm) cytochrome P450 0.0009 0.063 0.063
Echinococcus granulosus ubiquitin specific protease 41 0.0045 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.1418 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.1418 0.1418
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.9396 0.9355
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.1418 0.1418
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.1418 0.1418
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.9396 0.9355
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.1418 0.1418
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.1418 0.1418
Trypanosoma brucei cytochrome P450, putative 0.0019 0.3376 0.293
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.1418 0.1418
Loa Loa (eye worm) hypothetical protein 0.0012 0.1418 0.1418
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.1418 0.1418
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.1418 0.1418
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0038 0.8245 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.1418 0.1418
Loa Loa (eye worm) CYP4Cod1 0.0019 0.3376 0.3376
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 1 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 1 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 1 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0042 0.9396 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.1418 0.1418
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.6609 0.6609
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.1418 0.1418
Loa Loa (eye worm) hypothetical protein 0.0011 0.1158 0.1158
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.1418 0.1418
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.1418 0.1418
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.1418 0.1418
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.1418 0.1418
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.1418 0.1418
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.1418 0.1418
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.1418 0.1418
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.1418 0.1418
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.1418 0.1418
Loa Loa (eye worm) hypothetical protein 0.0012 0.1418 0.1418
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 1 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0019 0.3376 0.3132
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.3376 0.3376
Schistosoma mansoni thyroid hormone receptor 0.0012 0.1418 0.1418
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.1418 0.1418
Brugia malayi Inositol-1 0.0042 0.9396 0.9396
Loa Loa (eye worm) hypothetical protein 0.0012 0.1418 0.1418

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 3.16227766 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 19.95262315 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 25.11886432 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (ADMET) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C9. (Class of assay: confirmatory) [Related pubchem assays: 885, 884, 410 ] ChEMBL. No reference
Potency (ADMET) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2D6. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 35.4813 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

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.

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