Detailed information for compound 522924

Basic information

Technical information
  • TDR Targets ID: 522924
  • Name: 5-(7-fluoro-3,3-dimethyl-2-oxo-1-prop-2-ynyli ndol-5-yl)-1-methylpyrrole-2-carbonitrile
  • MW: 321.348 | Formula: C19H16FN3O
  • H donors: 0 H acceptors: 2 LogP: 2.55 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: C#CCN1c2c(F)cc(cc2C(C1=O)(C)C)c1ccc(n1C)C#N
  • InChi: 1S/C19H16FN3O/c1-5-8-23-17-14(19(2,3)18(23)24)9-12(10-15(17)20)16-7-6-13(11-21)22(16)4/h1,6-7,9-10H,8H2,2-4H3
  • InChiKey: AGOFKDOBYNWSDB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-(7-fluoro-3,3-dimethyl-2-oxo-1-prop-2-ynyl-indolin-5-yl)-1-methyl-pyrrole-2-carbonitrile
  • 5-(7-fluoro-3,3-dimethyl-2-oxo-1-prop-2-ynyl-5-indolinyl)-1-methyl-2-pyrrolecarbonitrile
  • 5-(7-fluoro-3,3-dimethyl-2-oxo-1-prop-2-ynyl-indol-5-yl)-1-methyl-pyrrole-2-carbonitrile
  • 5-(7-fluoro-2-keto-3,3-dimethyl-1-propargyl-indolin-5-yl)-1-methyl-pyrrole-2-carbonitrile

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens progesterone receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0238 0.0213 0.0213
Schistosoma mansoni chromobox protein 0.0011 0.0002 0.0002
Trichomonas vaginalis chromobox protein, putative 0.0041 0.003 0.0258
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.0055 0.0055
Loa Loa (eye worm) hypothetical protein 0.002 0.001 0.001
Brugia malayi follicle stimulating hormone receptor 0.0231 0.0207 0.0207
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0019 0.0019
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0002 0.0000027432
Trypanosoma cruzi NAD+ synthase, putative 0.008 0.0066 0.0078
Onchocerca volvulus 0.0014 0.0005 0.0022
Echinococcus granulosus Chromo domain 0.0011 0.0002 0.0002
Giardia lamblia NH3-dependent NAD+ synthetase 0.008 0.0066 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0059 0.0046 0.0043
Brugia malayi chromobox protein homolog 3 0.0038 0.0027 0.0027
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0014 0.0005 0.0005
Brugia malayi Heterochromatin protein 1 0.0068 0.0055 0.0055
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0027 0.0118
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0011 0.0002 0.0000000000040166
Loa Loa (eye worm) hypothetical protein 0.0017 0.0007 0.0007
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.001 0.0005
Brugia malayi Valyl-tRNA synthetase 0.0011 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0038 0.0027 0.0027
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0014 0.0004 0.0003
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0019 0.0019
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0059 0.0046 0.0046
Schistosoma mansoni ankyrin 23/unc44 0.0014 0.0005 0.0005
Mycobacterium tuberculosis Probable endonuclease IV End (endodeoxyribonuclease IV) (apurinase) 0.0075 0.0061 0.0056
Trichomonas vaginalis chromobox protein, putative 0.0011 0.0002 0.0000027432
Schistosoma mansoni GMP synthetase 0.0032 0.0021 0.0021
Brugia malayi Immunoglobulin I-set domain containing protein 0.0014 0.0005 0.0005
Mycobacterium tuberculosis Glutamine-dependent NAD(+) synthetase NadE (NAD(+) synthase [glutamine-hydrolysing]) 0.008 0.0066 0.0061
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0011 0.0002 0.0002
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0019 0.002
Loa Loa (eye worm) hypothetical protein 0.0014 0.0005 0.0005
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0014 0.0005 0.0002
Echinococcus granulosus geminin 0.0336 0.0304 0.0304
Onchocerca volvulus 0.0048 0.0037 0.016
Mycobacterium ulcerans dihydrofolate reductase DfrA 1.0757 1 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0018 0.0009 0.0008
Loa Loa (eye worm) hypothetical protein 0.0011 0.0002 0.0002
Brugia malayi SET domain containing protein 0.0012 0.0003 0.0003
Leishmania major pteridine reductase 1 0.0197 0.0174 0.0209
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0002 0.0000027432
Mycobacterium leprae PROBABLE ENDONUCLEASE IV END (ENDODEOXYRIBONUCLEASE IV) (APURINASE) 0.0075 0.0061 0.0052
Trichomonas vaginalis chromobox protein, putative 0.0041 0.003 0.0258
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0002 0.0000027432
Trypanosoma brucei pteridine reductase 1 0.019 0.0169 0.0202
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0002 0.0000027432
Plasmodium falciparum apurinic/apyrimidinic endonuclease Apn1, putative 0.0075 0.0061 0.0072
Onchocerca volvulus 0.004 0.0029 0.0127
Echinococcus granulosus chromobox protein 1 0.0068 0.0055 0.0055
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0059 0.0046 0.0054
Loa Loa (eye worm) hypothetical protein 0.0011 0.0002 0.0002
Schistosoma mansoni survival motor neuron protein 0.0048 0.0037 0.0037
Leishmania major dihydrofolate reductase-thymidylate synthase 0.8865 0.824 1
Brugia malayi CHD4 protein 0.0011 0.0002 0.0002
Toxoplasma gondii glutamine-dependent NAD(+) synthetase protein, putative 0.008 0.0066 0.0078
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 1.0757 1 1
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0014 0.0005 0.0004
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.8865 0.824 1
Echinococcus granulosus chromobox protein 2 0.0011 0.0002 0.0002
Loa Loa (eye worm) RecQ helicase 0.0021 0.0011 0.0011
Echinococcus granulosus GMP synthase glutamine hydrolyzing 0.0032 0.0021 0.0021
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0002 0.0000027432
Echinococcus granulosus thymidylate synthase 0.2469 0.2289 0.2289
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0019 0.0019
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0059 0.0046 0.0043
Echinococcus multilocularis chromobox protein 1 0.0068 0.0055 0.0055
Echinococcus granulosus dihydrofolate reductase 1.0757 1 1
Leishmania major cytochrome p450-like protein 0.0012 0.0003 0.0001
Echinococcus granulosus chromobox protein 1 0.0068 0.0055 0.0055
Schistosoma mansoni hypothetical protein 0.0011 0.0002 0.0002
Onchocerca volvulus 0.0232 0.0207 0.0906
Plasmodium vivax apurinic/apyrimidinic endonuclease Apn1, putative 0.0075 0.0061 0.0072
Onchocerca volvulus 0.2469 0.2289 1
Mycobacterium tuberculosis Hypothetical protein 0.1175 0.1085 0.108
Loa Loa (eye worm) CHromoDomain protein family member 0.0011 0.0002 0.0002
Brugia malayi Death domain containing protein 0.0014 0.0005 0.0005
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0002 0.0000027432
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0011 0.0002 0.0002
Brugia malayi Pre-SET motif family protein 0.0029 0.0019 0.0019
Plasmodium vivax glutamine-dependent NAD(+) synthetase, putative 0.008 0.0066 0.0078
Leishmania major oxidoreductase-like protein 0.0014 0.0005 0.0004
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0002 0.0000027432
Brugia malayi Associated with TFs and helicases family protein 0.0011 0.0002 0.0002
Entamoeba histolytica NAD synthetase, putative 0.008 0.0066 1
Mycobacterium ulcerans hypothetical protein 0.002 0.001 0.0007
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.8865 0.824 1
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0027 0.0233
Trypanosoma cruzi cytochrome P450, putative 0.0012 0.0003 0.0001
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0011 0.0002 0.0002
Brugia malayi Hypothetical 29.7 kDa protein C05D11.5 in chromosome III 0.002 0.001 0.001
Schistosoma mansoni chromobox protein 0.0011 0.0002 0.0002
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0002 0.0000027432
Treponema pallidum NAD synthetase 0.008 0.0066 0.5
Brugia malayi DNA-(Apurinic or apyrimidinic site) lyase 0.0075 0.0061 0.0061
Trypanosoma brucei oxidoreductase-like protein 0.0014 0.0005 0.0004
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0055 0.049
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0037 0.0037
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0011 0.0002 0.0002
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0014 0.0005 0.0003
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.2469 0.2289 0.2285
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0002 0.0000027432
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.2469 0.2289 0.2282
Chlamydia trachomatis dihydrofolate reductase 1.0757 1 1
Schistosoma mansoni glutamine-dependent NAD(+) synthetase 0.008 0.0066 0.0066
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0014 0.0005 0.0004
Trichomonas vaginalis Heterochromatin protein, putative 0.0011 0.0002 0.0000027432
Schistosoma mansoni glutamine-dependent NAD(+) synthetase 0.0048 0.0036 0.0036
Mycobacterium leprae PROBABLE GLUTAMINE-DEPENDENT NAD(+) SYNTHETASE NADE (NAD(+) SYNTHASE [GLUTAMINE-HYDROLYSING]) 0.008 0.0066 0.0057
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0014 0.0005 0.0002
Trichomonas vaginalis chromobox protein, putative 0.0011 0.0002 0.0000027432
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 1.0757 1 1
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0011 0.0002 0.0002
Mycobacterium ulcerans NAD synthetase 0.008 0.0066 0.0064
Plasmodium falciparum GMP synthase [glutamine-hydrolyzing] 0.0032 0.0021 0.0024
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0002 0.0000027432
Onchocerca volvulus Putative hydroxypyruvate isomerase 0.002 0.001 0.0043
Echinococcus granulosus bloom syndrome protein 0.0021 0.0011 0.0011
Plasmodium vivax SET domain protein, putative 0.0029 0.0019 0.002
Leishmania major NAD synthase, putative 0.008 0.0066 0.0078
Trypanosoma brucei GMP synthase [glutamine-hydrolysing] 0.0032 0.0021 0.0024
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0002 0.0000027432
Loa Loa (eye worm) CYP4Cod1 0.0012 0.0003 0.0003
Trichomonas vaginalis set domain proteins, putative 0.0232 0.0207 0.1897
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0002 0.0000027432
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0002 0.0000027432
Loa Loa (eye worm) thymidylate synthase 0.2469 0.2289 0.2289
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0002 0.0000027432
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0011 0.0002 0.0002
Loa Loa (eye worm) dihydrofolate reductase 1.0757 1 1
Echinococcus granulosus Chromobox protein 3 0.0011 0.0002 0.0002
Onchocerca volvulus 0.003 0.0019 0.0085
Echinococcus multilocularis thymidylate synthase 0.2469 0.2289 0.2289
Echinococcus multilocularis Chromobox protein 3 0.0011 0.0002 0.0002
Onchocerca volvulus Netrin receptor homolog 0.0014 0.0005 0.002
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.0011 0.0084
Schistosoma mansoni hypothetical protein 0.0336 0.0304 0.0304
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0231 0.0207 0.0207
Trypanosoma cruzi cytochrome P450, putative 0.0012 0.0003 0.0001
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0019 0.0019
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0002 0.0000027432
Echinococcus multilocularis GMP synthase (glutamine hydrolyzing) 0.0032 0.0021 0.0021
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0002 0.0000027432
Brugia malayi hypothetical protein 0.0011 0.0002 0.0002
Schistosoma mansoni netrin receptor unc5 0.0014 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.003 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0014 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0011 0.0002 0.0002
Loa Loa (eye worm) helicase 0.0011 0.0002 0.0002
Leishmania major GMP synthase, putative,glutamine amidotransferase, putative 0.0032 0.0021 0.0024
Mycobacterium ulcerans endonuclease IV 0.0075 0.0061 0.0059
Echinococcus multilocularis chromobox protein 1 0.0068 0.0055 0.0055
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0011 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0075 0.0061 0.0061
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.0011 0.0011
Mycobacterium ulcerans sugar phosphate isomerases/epimerases 0.002 0.001 0.0007
Echinococcus multilocularis bloom syndrome protein 0.0021 0.0011 0.0011
Trichomonas vaginalis chromobox protein, putative 0.0011 0.0002 0.0000027432
Brugia malayi Cytochrome P450 family protein 0.0012 0.0003 0.0003
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.1175 0.1085 0.1314
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0027 0.0233
Loa Loa (eye worm) hypothetical protein 0.0011 0.0002 0.0002
Brugia malayi Cytochrome P450 family protein 0.0012 0.0003 0.0003
Schistosoma mansoni chromobox protein 0.0068 0.0055 0.0055
Trichomonas vaginalis hypothetical protein 0.0011 0.0002 0.0000027432
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0059 0.0046 0.0046
Echinococcus multilocularis survival motor neuron protein 1 0.0238 0.0213 0.0213
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0014 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0032 0.0021 0.0021
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.2469 0.2289 0.2289
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0003 0.0003
Echinococcus multilocularis netrin receptor unc 5 0.0014 0.0005 0.0005
Brugia malayi Protein kinase domain containing protein 0.0014 0.0005 0.0005
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0003 0.0003
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0204 0.0181 0.0181
Echinococcus multilocularis Chromo domain 0.0011 0.0002 0.0002
Echinococcus granulosus nuclear factor of activated T cells 5 0.0072 0.0059 0.0059
Trichomonas vaginalis DNA helicase recq1, putative 0.0021 0.0011 0.0084
Echinococcus granulosus netrin receptor unc 5 0.0014 0.0005 0.0005
Schistosoma mansoni dihydrofolate reductase 1.0757 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0014 0.0005 0.0002
Trypanosoma brucei cytochrome P450, putative 0.0012 0.0003 0.0001
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0072 0.0059 0.0059
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0014 0.0005 0.0005
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0002 0.0000027432
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.003 0.013
Toxoplasma gondii bifunctional GMP synthase/glutamine amidotransferase protein 0.0032 0.0021 0.0024
Trichomonas vaginalis nh(3)-dependent NAD(+) synthetase, putative 0.008 0.0066 0.0595
Brugia malayi Protein cec-1. 0.0011 0.0002 0.0002
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0061 0.0048 0.0048
Brugia malayi GMP synthase 0.0032 0.0021 0.0021
Plasmodium vivax hypothetical protein, conserved 0.0011 0.0002 0.0000000000040166
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0002 0.0000027432
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0002 0.0000027432
Brugia malayi hypothetical protein 0.0238 0.0213 0.0213
Mycobacterium ulcerans thymidylate synthase 0.2469 0.2289 0.2287
Brugia malayi Dihydrofolate reductase 1.0757 1 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0019 0.0019
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0011 0.0002 0.0002
Echinococcus granulosus death domain containing protein 0.0014 0.0005 0.0005
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.8865 0.824 1
Brugia malayi Pre-SET motif family protein 0.0204 0.0181 0.0181
Echinococcus granulosus survival motor neuron protein 1 0.0238 0.0213 0.0213
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0017 0.0137
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0017 0.0137
Schistosoma mansoni blooms syndrome DNA helicase 0.0016 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0029 0.0019 0.0019
Echinococcus multilocularis geminin 0.0336 0.0304 0.0304
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0059 0.0046 0.0046
Toxoplasma gondii endonuclease IV APN 0.0075 0.0061 0.0072
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0059 0.0046 0.0041
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0018 0.0018
Trypanosoma brucei NAD+ synthase, putative 0.008 0.0066 0.0078
Brugia malayi Uncoordinated protein 44 0.0014 0.0005 0.0005
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.004 0.0029 0.0029
Mycobacterium ulcerans GMP synthase 0.0032 0.0021 0.0019
Schistosoma mansoni hypothetical protein 0.0048 0.0037 0.0037
Schistosoma mansoni hypothetical protein 0.0336 0.0304 0.0304
Loa Loa (eye worm) hypothetical protein 0.0011 0.0002 0.0002
Echinococcus multilocularis Ankyrin 0.0014 0.0005 0.0005
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0014 0.0005 0.0002
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0011 0.0002 0.0002
Trichomonas vaginalis conserved hypothetical protein 0.1175 0.1085 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.8865 0.824 1
Plasmodium vivax GMP synthetase, putative 0.0032 0.0021 0.0024
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0014 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0011 0.0002 0.0002
Echinococcus multilocularis chromobox protein 2 0.0011 0.0002 0.0002
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0055 0.049
Plasmodium falciparum chromodomain-helicase-DNA-binding protein 1 homolog, putative 0.0011 0.0002 0.0000000000040166
Brugia malayi hypothetical protein 0.1175 0.1085 0.1085
Echinococcus granulosus Ankyrin 0.0014 0.0005 0.0005
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0011 0.0002 0.0000027432
Brugia malayi thymidylate synthase 0.2469 0.2289 0.2289
Brugia malayi M-phase phosphoprotein, mpp8 0.0011 0.0002 0.0002
Plasmodium falciparum glutamine-dependent NAD(+) synthetase, putative 0.008 0.0066 0.0078
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0011 0.0002 0.0002
Trypanosoma cruzi NAD+ synthase, putative 0.008 0.0066 0.0078
Schistosoma mansoni chromobox protein 0.0068 0.0055 0.0055
Echinococcus multilocularis dihydrofolate reductase 1.0757 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0002 0.0000027432
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0059 0.0046 0.0046
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0011 0.0002 0.0000027432
Mycobacterium ulcerans epimerase 0.002 0.001 0.0007
Onchocerca volvulus 0.0011 0.0002 0.0008
Onchocerca volvulus 0.0011 0.0002 0.0008
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.8865 0.824 1
Schistosoma mansoni hypothetical protein 0.0014 0.0005 0.0005

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 30 nM Antagonist activity at human PR expressed in human T47D cells assessed as inhibition of progesterone induced alkaline phosphatase ChEMBL. 18318463
IC50 (functional) = 30 nM Antagonist activity at human PR expressed in human T47D cells assessed as inhibition of progesterone induced alkaline phosphatase ChEMBL. 18318463

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

1 literature reference was collected for this gene.

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