Detailed information for compound 1366026

Basic information

Technical information
  • TDR Targets ID: 1366026
  • Name: 2-(4-chloro-2-methylphenoxy)-5-(4-chloropheny l)pyrimidine
  • MW: 331.196 | Formula: C17H12Cl2N2O
  • H donors: 0 H acceptors: 2 LogP: 5.31 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)c1cnc(nc1)Oc1ccc(cc1C)Cl
  • InChi: 1S/C17H12Cl2N2O/c1-11-8-15(19)6-7-16(11)22-17-20-9-13(10-21-17)12-2-4-14(18)5-3-12/h2-10H,1H3
  • InChiKey: RYJNIAMKYHXAOS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(4-chloro-2-methyl-phenoxy)-5-(4-chlorophenyl)pyrimidine
  • 2R-1028
  • ZINC01383867
  • 4-chloro-2-methylphenyl 5-(4-chlorophenyl)-2-pyrimidinyl ether
  • MLS000327231
  • SMR000179769

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 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
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
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
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
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
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
Brugia malayi Cytochrome P450 family protein 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
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
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 ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
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_126582 All targets in OG5_126582
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
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
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
Leishmania donovani cytochrome p450-like 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
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis GPCR, family 2 0.0018 0.0279 0.0342
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1671 0.1883
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0049 0.1429 1
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.048 0.3451
Echinococcus multilocularis musashi 0.0031 0.0759 0.1179
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0082 0.2685 0.4685
Loa Loa (eye worm) hypothetical protein 0.003 0.0738 0.0866
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0023 0.048 0.3451
Onchocerca volvulus 0.0271 0.9747 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0049 0.1429 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0082 0.2685 0.4542
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.048 0.3451
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0279 0.0232
Echinococcus multilocularis lamin 0.0031 0.0759 0.1179
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.1231 0.1157
Brugia malayi intermediate filament protein 0.0031 0.0759 0.08
Echinococcus granulosus GPCR family 2 0.0018 0.0279 0.0352
Schistosoma mansoni intermediate filament proteins 0.0031 0.0759 0.1179
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1671 0.1963
Plasmodium vivax hypothetical protein, conserved 0.0043 0.1231 0.6382
Brugia malayi Cytochrome P450 family protein 0.0036 0.0946 0.1023
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1671 0.2772
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0882 0.1394
Schistosoma mansoni hypothetical protein 0.0018 0.0279 0.0342
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0279 0.0232
Loa Loa (eye worm) hypothetical protein 0.0018 0.0279 0.0328
Mycobacterium ulcerans lipase LipD 0.0043 0.1231 1
Toxoplasma gondii ABC1 family protein 0.0043 0.1231 0.8529
Loa Loa (eye worm) hypothetical protein 0.0043 0.1231 0.1446
Echinococcus granulosus lamin 0.0031 0.0759 0.1216
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0759 0.0891
Loa Loa (eye worm) hypothetical protein 0.0014 0.014 0.0165
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.1231 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.1231 0.1157
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.1231 0.1157
Loa Loa (eye worm) hypothetical protein 0.0043 0.1231 0.1446
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0279 0.0328
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0279 0.0352
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.0161 0.0139
Schistosoma mansoni hypothetical protein 0.0018 0.0279 0.0342
Brugia malayi Cytochrome P450 family protein 0.0023 0.048 0.047
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1671 0.2859
Echinococcus granulosus lamin dm0 0.0031 0.0759 0.1216
Schistosoma mansoni hypothetical protein 0.0082 0.2685 0.4542
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0166 0.581 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0049 0.1429 0.0232
Plasmodium falciparum histone acetyltransferase GCN5 0.0045 0.1277 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0137 0.4716 0.5538
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.048 0.0563
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1671 0.2772
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.1231 0.1157
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0882 0.1394
Schistosoma mansoni lamin 0.0031 0.0759 0.1179
Loa Loa (eye worm) hypothetical protein 0.0043 0.1231 0.1446
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1231 0.2004
Brugia malayi Pre-SET motif family protein 0.0238 0.8515 1
Schistosoma mansoni hypothetical protein 0.0018 0.0279 0.0342
Brugia malayi beta-lactamase 0.0043 0.1231 0.1361
Giardia lamblia Histone acetyltransferase GCN5 0.0045 0.1277 0.5
Entamoeba histolytica hypothetical protein 0.0082 0.2685 1
Entamoeba histolytica hypothetical protein 0.0082 0.2685 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.1231 0.1157
Loa Loa (eye worm) hypothetical protein 0.0043 0.1231 0.1446
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0166 0.581 1
Schistosoma mansoni hypothetical protein 0.0039 0.1063 0.171
Mycobacterium leprae Probable lipase LipE 0.0043 0.1231 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0279 0.0352
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.1739 0.2042
Loa Loa (eye worm) hypothetical protein 0.0057 0.1739 0.2042
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1671 0.2859
Loa Loa (eye worm) transcription factor SMAD2 0.0137 0.4716 0.5538
Schistosoma mansoni lamin 0.0031 0.0759 0.1179
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.1231 0.1361
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1671 0.2772
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0882 0.1394
Loa Loa (eye worm) hypothetical protein 0.0034 0.0882 0.1036
Echinococcus multilocularis lamin dm0 0.0031 0.0759 0.1179
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0759 0.08
Loa Loa (eye worm) hypothetical protein 0.0039 0.1063 0.1249
Mycobacterium ulcerans beta-lactamase 0.0043 0.1231 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0759 0.0891
Brugia malayi Cytochrome P450 family protein 0.0023 0.048 0.047
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1231 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0835 0.1353
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.0161 0.0135
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0279 0.0342
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.1063 0.1162
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0759 0.0891
Loa Loa (eye worm) beta-lactamase 0.0043 0.1231 0.1446
Loa Loa (eye worm) hypothetical protein 0.0043 0.1231 0.1446
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.1231 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0223 0.0261
Echinococcus granulosus histone acetyltransferase KAT2B 0.0049 0.1429 0.2423
Leishmania major cytochrome p450-like protein 0.0023 0.048 0.3451
Trichomonas vaginalis bromodomain-containing protein, putative 0.0049 0.1429 0.0232
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0882 0.5935
Loa Loa (eye worm) cytochrome P450 family protein 0.0036 0.0946 0.1111
Brugia malayi MH2 domain containing protein 0.0137 0.4716 0.5494
Onchocerca volvulus 0.0043 0.1231 0.0526
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0238 0.8515 1
Brugia malayi beta-lactamase family protein 0.0043 0.1231 0.1361
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.1231 0.1157
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0882 0.1438
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1231 0.2004
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1231 1
Onchocerca volvulus 0.0043 0.1231 0.0526
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.1231 0.1157
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0882 0.1394
Loa Loa (eye worm) hypothetical protein 0.0015 0.0161 0.0189
Loa Loa (eye worm) CYP4Cod1 0.0023 0.048 0.0563
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1671 0.2772
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0882 0.1394
Brugia malayi acetyltransferase, GNAT family protein 0.0166 0.581 0.6791
Onchocerca volvulus 0.0043 0.1231 0.0526
Mycobacterium ulcerans hypothetical protein 0.0043 0.1231 1
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.1231 0.1157
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.048 0.0563
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.1739 0.1963
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1671 0.2772
Brugia malayi beta-lactamase family protein 0.0043 0.1231 0.1361
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0049 0.1429 1
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.1231 1
Mycobacterium leprae conserved hypothetical protein 0.0043 0.1231 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0161 0.5636 1
Echinococcus granulosus intermediate filament protein 0.0031 0.0759 0.1216
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.1739 0.1963
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.1231 0.1157
Trypanosoma brucei cytochrome P450, putative 0.0023 0.048 0.3451
Brugia malayi hypothetical protein 0.0082 0.2685 0.3085
Schistosoma mansoni hypothetical protein 0.0018 0.0279 0.0342
Trichomonas vaginalis set domain proteins, putative 0.0271 0.9747 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.1231 0.1446
Onchocerca volvulus 0.0034 0.0882 0.0137
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.1231 0.2004
Loa Loa (eye worm) cytochrome P450 0.0013 0.0084 0.0098
Loa Loa (eye worm) hypothetical protein 0.0043 0.1231 0.1446
Schistosoma mansoni transcription factor LCR-F1 0.0082 0.2685 0.4542
Loa Loa (eye worm) acetyltransferase 0.0166 0.581 0.6823
Entamoeba histolytica hypothetical protein 0.0082 0.2685 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.1231 0.1157
Brugia malayi Pre-SET motif family protein 0.0034 0.0882 0.0947
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0223 0.0165
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.1231 0.2067
Loa Loa (eye worm) hypothetical protein 0.0014 0.014 0.0165
Leishmania major hypothetical protein, conserved 0.0043 0.1231 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0279 0.0342
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0882 0.1394
Entamoeba histolytica hypothetical protein 0.0082 0.2685 1

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-cyp2d6 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-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 0.794328235 uM 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) = 2.511886432 uM 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) = 7.079457844 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
Potency (functional) 0.8913 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) = 3.9811 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) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 11.5821 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) 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) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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