Detailed information for compound 16302

Basic information

Technical information
  • TDR Targets ID: 16302
  • Name: N-tert-butyl-6-phenyl-2-(trifluoromethyl)quin azolin-4-amine
  • MW: 345.362 | Formula: C19H18F3N3
  • H donors: 1 H acceptors: 2 LogP: 5.39 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(Nc1nc(nc2c1cc(cc2)c1ccccc1)C(F)(F)F)(C)C
  • InChi: 1S/C19H18F3N3/c1-18(2,3)25-16-14-11-13(12-7-5-4-6-8-12)9-10-15(14)23-17(24-16)19(20,21)22/h4-11H,1-3H3,(H,23,24,25)
  • InChiKey: WKWIUSVAWQBTSV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-tert-butyl-6-phenyl-2-(trifluoromethyl)-4-quinazolinamine
  • tert-butyl-[6-phenyl-2-(trifluoromethyl)quinazolin-4-yl]amine
  • 6-substituted quinazoline 42

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cyclin E2 Starlite/ChEMBL References
Homo sapiens cyclin D1 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
Plasmodium vivax M17 leucyl aminopeptidase, putative 0.0107 0.074 1
Schistosoma mansoni hypothetical protein 0.0103 0.0707 0.0697
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0043 0.0138 0.0138
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0041 0.0125 0.0498
Loa Loa (eye worm) hypothetical protein 0.0039 0.0097 0.0132
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.014 0.1055 0.1091
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.014 0.1049 0.4176
Loa Loa (eye worm) hypothetical protein 0.0125 0.0909 0.123
Schistosoma mansoni tar DNA-binding protein 0.0376 0.3276 0.3594
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0184 0.0184
Loa Loa (eye worm) glutamate receptor 0.0207 0.1681 0.2276
Schistosoma mansoni glutamate receptor kainate 0.0979 0.8957 1
Echinococcus multilocularis cyclin b3 0.0043 0.0138 0.0138
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0211 0.0838
Loa Loa (eye worm) hypothetical protein 0.0111 0.0777 0.1052
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.0242 0.0242
Loa Loa (eye worm) hypothetical protein 0.0039 0.0097 0.0132
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0097 0.0016
Brugia malayi Glutamate receptor 1 precursor 0.0812 0.7385 1
Schistosoma mansoni glutamate receptor kainate 0.0531 0.4735 0.524
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0922 0.8427 0.8427
Brugia malayi latrophilin 2 splice variant baaae 0.0103 0.0707 0.0957
Echinococcus multilocularis nmda type glutamate receptor 0.0196 0.1585 0.1585
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0184 0.025
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0107 0.074 0.2947
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0043 0.0138 0.0138
Echinococcus multilocularis NMDA receptor 0.0644 0.5807 0.5807
Loa Loa (eye worm) beta-lactamase 0.0039 0.0097 0.0132
Echinococcus multilocularis nmda type glutamate receptor 0.0111 0.0777 0.0777
Echinococcus multilocularis p2X purinoceptor 4 0.0067 0.0364 0.0364
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.1089 1 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0291 0.0291
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0246 0.2053 0.3385
Schistosoma mansoni P2X receptor subunit 0.0067 0.0364 0.0311
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.014 0.1055 0.1429
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0291 0.0291
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0291 0.0349
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0039 0.0097 0.0016
Echinococcus granulosus p2X purinoceptor 4 0.0067 0.0364 0.0364
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.0242 0.0242
Echinococcus granulosus receptor type guanylyl cyclase 0.0111 0.0777 0.0777
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0111 0.0777 0.1052
Treponema pallidum exodeoxyribonuclease (exoA) 0.0038 0.0088 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0097 0.0387
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0531 0.4735 0.4735
Trichomonas vaginalis cyclin B, putative 0.0043 0.0138 1
Echinococcus granulosus glutamate receptor 1 0.0281 0.2384 0.2384
Echinococcus granulosus metabotropic glutamate receptor 2 0.0189 0.1519 0.1519
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0189 0.1519 0.1519
Loa Loa (eye worm) RGC/RGC protein kinase 0.0111 0.0777 0.1052
Loa Loa (eye worm) hypothetical protein 0.0043 0.0138 0.0187
Trichomonas vaginalis cyclins, putative 0.0043 0.0138 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0038 0.0088 0.0351
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0194 0.1561 0.1561
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0038 0.0088 0.0351
Loa Loa (eye worm) hypothetical protein 0.0047 0.018 0.0244
Brugia malayi hypothetical protein 0.0125 0.0909 0.123
Entamoeba histolytica cyclin, putative 0.0043 0.0138 0.1781
Echinococcus granulosus geminin 0.0509 0.4537 0.4537
Echinococcus granulosus glutamate NMDA receptor subunit 0.0531 0.4735 0.4735
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0111 0.0777 0.8376
Brugia malayi Metabotropic glutamate receptor precursor. 0.0207 0.1681 0.2276
Brugia malayi beta-lactamase family protein 0.0039 0.0097 0.0132
Loa Loa (eye worm) hypothetical protein 0.0281 0.2384 0.3228
Brugia malayi Guanylyl cyclase protein 23 0.0111 0.0777 0.1052
Echinococcus granulosus p2X purinoceptor 4 0.0067 0.0364 0.0364
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0097 0.0387
Trypanosoma cruzi cyclin 6, putative 0.0043 0.0138 0.0551
Onchocerca volvulus Huntingtin homolog 0.0125 0.0909 1
Schistosoma mansoni ATP-binding cassette transporter 0.0531 0.4735 0.524
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0291 0.0349
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0111 0.0777 0.0777
Schistosoma mansoni glutamate receptor AMPA 0.0531 0.4735 0.524
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.0242 0.0173
Echinococcus granulosus cyclins 0.0043 0.0138 0.0138
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0291 0.0228
Echinococcus multilocularis cyclins 0.0043 0.0138 0.0138
Trichomonas vaginalis cyclins, putative 0.0043 0.0138 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0097 0.0016
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0097 0.7034
Giardia lamblia Hypothetical protein 0.0043 0.0138 1
Mycobacterium ulcerans epoxide hydrolase EphA 0.0654 0.5894 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0097 0.0132
Trypanosoma cruzi cyclin, putative 0.0043 0.0138 0.0551
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.1089 1 1
Onchocerca volvulus 0.0111 0.0777 0.8376
Schistosoma mansoni hypothetical protein 0.0048 0.0184 0.0109
Schistosoma mansoni cyclin B 0.0043 0.0138 0.0057
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0097 0.0132
Trichomonas vaginalis cyclin B, putative 0.0043 0.0138 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.0777 0.1052
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0039 0.0097 0.0016
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0111 0.0777 0.1052
Loa Loa (eye worm) hypothetical protein 0.0039 0.0097 0.0132
Loa Loa (eye worm) hypothetical protein 0.0128 0.0939 0.1271
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.0242 0.0242
Loa Loa (eye worm) glutamate receptor 0.0042 0.0127 0.0172
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0038 0.0088 0.0088
Giardia lamblia G2/mitotic-specific cyclin B 0.0043 0.0138 1
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.018 0.0103
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.0654 0.5894 1
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0184 0.025
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0039 0.0097 0.0016
Echinococcus granulosus tyrosine kinase 0.0111 0.0777 0.0777
Schistosoma mansoni glutamate receptor NMDA 0.0531 0.4735 0.524
Loa Loa (eye worm) RGC/RGC protein kinase 0.0111 0.0777 0.1052
Onchocerca volvulus Huntingtin homolog 0.0125 0.0909 1
Loa Loa (eye worm) hypothetical protein 0.0151 0.1157 0.1566
Trichomonas vaginalis cyclin A, putative 0.0043 0.0138 1
Schistosoma mansoni P2X receptor subunit 0.0067 0.0364 0.0311
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.018 0.0244
Schistosoma mansoni tyrosine kinase 0.0111 0.0777 0.0777
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0291 0.1157
Brugia malayi Glutamate receptor 2 precursor 0.0812 0.7385 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.014 0.1049 0.4176
Echinococcus granulosus cyclin B3 1 0.0043 0.0138 0.0138
Toxoplasma gondii leucyl aminopeptidase LAP 0.0107 0.074 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.0707 0.0957
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0041 0.0125 0.0498
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0376 0.3276 0.4436
Mycobacterium leprae Probable cytosol aminopeptidase PepB 0.0107 0.074 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0184 0.025
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0088 0.119
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0644 0.5807 0.5807
Schistosoma mansoni glutamate receptor kainate 0.0979 0.8957 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 0.2513 1
Trichomonas vaginalis cyclin B, putative 0.0043 0.0138 1
Echinococcus granulosus nmda type glutamate receptor 0.0196 0.1585 0.1585
Echinococcus multilocularis glutamate receptor 2 0.0922 0.8427 0.8427
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0291 0.3926
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.018 0.018
Loa Loa (eye worm) hypothetical protein 0.0281 0.2384 0.3228
Mycobacterium tuberculosis Probable aminopeptidase PepB 0.0107 0.074 0.1124
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0088 0.6364
Trichomonas vaginalis cyclins, putative 0.0043 0.0138 1
Schistosoma mansoni metabotropic glutamate receptor 0.0189 0.1519 0.1613
Toxoplasma gondii hypothetical protein 0.0048 0.0183 0.2465
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0038 0.0088 0.1134
Echinococcus granulosus cyclins 0.0043 0.0138 0.0138
Loa Loa (eye worm) RGC/RGC protein kinase 0.0111 0.0777 0.1052
Loa Loa (eye worm) RNA binding protein 0.0376 0.3276 0.4436
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.018 0.0103
Loa Loa (eye worm) TAR-binding protein 0.0376 0.3276 0.4436
Schistosoma mansoni glutamate receptor NMDA 0.0641 0.5778 0.6415
Loa Loa (eye worm) cyclin domain-containing protein 0.0043 0.0138 0.0187
Schistosoma mansoni P2X receptor subunit 0.0067 0.0364 0.0311
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0038 0.0088 0.0351
Echinococcus granulosus cyclins 0.0043 0.0138 0.0138
Echinococcus granulosus tar DNA binding protein 0.0376 0.3276 0.3276
Trichomonas vaginalis esterase, putative 0.0039 0.0097 0.7034
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0125 0.0498
Echinococcus granulosus nmda type glutamate receptor 0.0111 0.0777 0.0777
Loa Loa (eye worm) glutamate receptor 2 0.0531 0.4735 0.6412
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0097 0.001
Entamoeba histolytica cyclin, putative 0.0043 0.0138 0.1781
Mycobacterium ulcerans hypothetical protein 0.0039 0.0097 0.0016
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0151 0.1157 0.1566
Brugia malayi mbt repeat family protein 0.0047 0.018 0.0244
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.1089 1 1
Brugia malayi RNA binding protein 0.0376 0.3276 0.4436
Loa Loa (eye worm) transcription factor SMAD2 0.0257 0.2156 0.2919
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.014 0.1055 0.1055
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0043 0.0138 0.0551
Trypanosoma cruzi cyclin, putative 0.0043 0.0138 0.0551
Mycobacterium tuberculosis Conserved hypothetical protein 0.0155 0.1198 0.1911
Echinococcus granulosus GPCR family 2 0.0048 0.0184 0.0184
Brugia malayi Cyclin, N-terminal domain containing protein 0.0043 0.0138 0.0187
Mycobacterium ulcerans beta-lactamase 0.0039 0.0097 0.0016
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.014 0.1055 0.1091
Mycobacterium ulcerans hypothetical protein 0.0155 0.1198 0.1911
Echinococcus multilocularis leucine aminopeptidase protein 0.0107 0.074 0.074
Echinococcus multilocularis geminin 0.0509 0.4537 0.4537
Echinococcus multilocularis cyclins 0.0043 0.0138 0.0138
Mycobacterium tuberculosis Conserved protein 0.0039 0.0097 0.0016
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.014 0.1055 0.1055
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0477 0.4234 0.4234
Echinococcus multilocularis receptor type guanylyl cyclase 0.0111 0.0777 0.0777
Schistosoma mansoni cyclins 0.0043 0.0138 0.0057
Schistosoma mansoni P2X receptor subunit 0.0067 0.0364 0.0311
Toxoplasma gondii ABC1 family protein 0.0039 0.0097 0.1315
Echinococcus multilocularis glutamate receptor 4 0.0281 0.2384 0.2384
Echinococcus granulosus cyclin b3 0.0043 0.0138 0.0138
Trichomonas vaginalis cyclin D, putative 0.0043 0.0138 1
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0096 0.0638 0.0864
Schistosoma mansoni hypothetical protein 0.0196 0.1585 0.1688
Schistosoma mansoni protein kinase 0.0111 0.0777 0.0777
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0291 0.0349
Schistosoma mansoni glutamate receptor AMPA 0.0531 0.4735 0.524
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.0242 0.0327
Loa Loa (eye worm) hypothetical protein 0.0054 0.0242 0.0327
Schistosoma mansoni cyclin B3 0.0043 0.0138 0.0057
Echinococcus granulosus cyclin B 0.0043 0.0138 0.0138
Echinococcus granulosus p2X purinoceptor 4 0.0067 0.0364 0.0364
Trypanosoma cruzi CYC2-like cyclin, putative 0.0043 0.0138 0.0551
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0038 0.0088 0.0351
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.018 0.018
Schistosoma mansoni hypothetical protein 0.0295 0.2514 0.2735
Schistosoma mansoni metabotropic glutamate receptor 0.0152 0.1169 0.1219
Echinococcus granulosus cyclins 0.0043 0.0138 0.0138
Mycobacterium tuberculosis Conserved protein 0.0039 0.0097 0.0016
Plasmodium falciparum M17 leucyl aminopeptidase 0.0107 0.074 1
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0128 0.0939 0.1271
Entamoeba histolytica cyclin family protein 0.0043 0.0138 0.1781
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0097 0.001
Schistosoma mansoni hypothetical protein 0.0048 0.0184 0.0109
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0644 0.5807 0.5807
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0231 0.1911 0.1911
Leishmania major cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 0.0107 0.074 0.2947
Mycobacterium tuberculosis Probable lipase LipD 0.0039 0.0097 0.0016
Leishmania major cyclin 0.0043 0.0138 0.0551
Brugia malayi Receptor family ligand binding region containing protein 0.0128 0.0939 0.1271
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0295 0.2513 1
Echinococcus multilocularis glutamate receptor 2 0.0812 0.7385 0.7385
Trichomonas vaginalis cyclin B, putative 0.0043 0.0138 1
Echinococcus multilocularis p2X purinoceptor 4 0.0067 0.0364 0.0364
Trichomonas vaginalis cyclins, putative 0.0043 0.0138 1
Schistosoma mansoni tar DNA-binding protein 0.0376 0.3276 0.3594
Loa Loa (eye worm) hypothetical protein 0.0111 0.0777 0.1052
Loa Loa (eye worm) hypothetical protein 0.0111 0.0777 0.1052
Trypanosoma brucei mitotic cyclin 6 0.0043 0.0138 0.0551
Echinococcus granulosus glutamate receptor 4 0.0281 0.2384 0.2384
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.018 0.1017
Mycobacterium tuberculosis Probable esterase LipL 0.0039 0.0097 0.0016
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0038 0.0088 0.6364
Schistosoma mansoni hypothetical protein 0.0048 0.0184 0.0109
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.1089 1 1
Echinococcus granulosus glutamate receptor 2 0.0726 0.6577 0.6577
Brugia malayi TAR-binding protein 0.0376 0.3276 0.4436
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0184 0.025
Mycobacterium ulcerans leucyl aminopeptidase 0.0107 0.074 0.1124
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.082 0.7465 0.7465
Loa Loa (eye worm) hypothetical protein 0.0281 0.2384 0.3228
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.018 0.018
Loa Loa (eye worm) hypothetical protein 0.0111 0.0777 0.1052
Giardia lamblia Cyclin A 0.0043 0.0138 1
Schistosoma mansoni tyrosine kinase 0.0111 0.0777 0.0777
Echinococcus granulosus atrial natriuretic peptide receptor 0.0111 0.0777 0.0777
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17, putative 0.0107 0.074 0.2947
Echinococcus multilocularis GPCR, family 2 0.0048 0.0184 0.0184
Onchocerca volvulus 0.0043 0.0138 0.0506
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0097 0.7034
Brugia malayi exodeoxyribonuclease III family protein 0.0038 0.0088 0.0119
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0097 0.0097
Brugia malayi beta-lactamase 0.0039 0.0097 0.0132
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.014 0.1055 0.1429
Brugia malayi Cyclin, N-terminal domain containing protein 0.0043 0.0138 0.0187
Echinococcus granulosus metabotropic glutamate receptor 5 0.0231 0.1911 0.1911
Mycobacterium ulcerans lipase LipD 0.0039 0.0097 0.0016
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0151 0.1157 0.1566
Toxoplasma gondii exonuclease III APE 0.0038 0.0088 0.119
Schistosoma mansoni hypothetical protein 0.0509 0.4537 0.5016
Echinococcus multilocularis cyclins 0.0043 0.0138 0.0138
Toxoplasma gondii hypothetical protein 0.0033 0.0041 0.0553
Loa Loa (eye worm) hypothetical protein 0.0039 0.0097 0.0132
Loa Loa (eye worm) hypothetical protein 0.0111 0.0777 0.1052
Loa Loa (eye worm) hypothetical protein 0.0125 0.0909 0.123
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0088 0.6364
Trypanosoma cruzi extracellular receptor, putative 0.0111 0.0777 0.3092
Echinococcus multilocularis tar DNA binding protein 0.0376 0.3276 0.3276
Echinococcus multilocularis cyclins 0.0043 0.0138 0.0138
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0097 0.0132
Loa Loa (eye worm) hypothetical protein 0.0043 0.0138 0.0187
Chlamydia trachomatis cytosol aminopeptidase 0.0107 0.074 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0291 0.0228
Echinococcus granulosus glutamate receptor subunit protein glur 0.0477 0.4234 0.4234
Echinococcus multilocularis cyclins 0.0043 0.0138 0.0138
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0097 0.7034
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0194 0.1561 0.1561
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0097 0.0387
Echinococcus multilocularis glutamate receptor 2 0.0726 0.6577 0.6577
Entamoeba histolytica cyclin family protein 0.0043 0.0138 0.1781
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.0242 0.0242
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0184 0.0184
Entamoeba histolytica hypothetical protein 0.0111 0.0777 1
Schistosoma mansoni tar DNA-binding protein 0.0376 0.3276 0.3594
Brugia malayi MH2 domain containing protein 0.0257 0.2156 0.2919
Brugia malayi Calcitonin receptor-like protein seb-1 0.0151 0.1157 0.1566
Schistosoma mansoni hypothetical protein 0.0048 0.0184 0.0109
Leishmania major mitochondrial DNA polymerase beta 0.0295 0.2513 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.1089 1 1
Onchocerca volvulus 0.0047 0.018 0.1017
Mycobacterium tuberculosis Probable hydrolase 0.0039 0.0097 0.0016
Leishmania major hypothetical protein, conserved 0.0039 0.0097 0.0387
Loa Loa (eye worm) hypothetical protein 0.0231 0.1911 0.2588
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0097 0.1315
Schistosoma mansoni hypothetical protein 0.0509 0.4537 0.5016
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0184 0.0184
Loa Loa (eye worm) glutamate receptor 1 0.0812 0.7385 1
Brugia malayi Receptor family ligand binding region containing protein 0.0111 0.0777 0.1052
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0128 0.0939 0.1271
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0644 0.5807 0.5807
Onchocerca volvulus 0.0111 0.0777 0.8376
Mycobacterium tuberculosis Probable lipase LipE 0.0039 0.0097 0.0016
Mycobacterium tuberculosis Conserved protein 0.0039 0.0097 0.0016
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.018 0.018
Trypanosoma cruzi cytosolic leucyl aminopeptidase, putative 0.0107 0.074 0.2947
Trichomonas vaginalis cyclin B, putative 0.0043 0.0138 1
Echinococcus granulosus cyclins 0.0043 0.0138 0.0138
Echinococcus multilocularis cyclins 0.0043 0.0138 0.0138
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0038 0.0088 0.0119
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0644 0.5807 0.5807
Echinococcus multilocularis cyclins 0.0043 0.0138 0.0138
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0088 0.119
Brugia malayi hypothetical protein 0.0111 0.0777 0.1052
Trichomonas vaginalis cyclins, putative 0.0043 0.0138 1
Loa Loa (eye worm) MBCTL1 0.0054 0.0242 0.0327
Brugia malayi beta-lactamase family protein 0.0039 0.0097 0.0132
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0291 0.0349
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0097 0.7034
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0097 0.7034
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0184 0.0184
Echinococcus granulosus leucine aminopeptidase protein 0.0107 0.074 0.074
Wolbachia endosymbiont of Brugia malayi leucyl aminopeptidase 0.0107 0.074 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0097 0.0097
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.014 0.1055 0.1055
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0922 0.8427 0.8427
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0038 0.0088 0.0088
Echinococcus granulosus glutamate receptor 2 0.0922 0.8427 0.8427
Brugia malayi RNA recognition motif domain containing protein 0.0376 0.3276 0.4436
Plasmodium falciparum cyclin 0.0043 0.0138 0.1869
Trichomonas vaginalis cyclin D, putative 0.0043 0.0138 1
Echinococcus multilocularis cyclin B3 1 0.0043 0.0138 0.0138
Trichomonas vaginalis cyclin B3, putative 0.0043 0.0138 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0257 0.2156 0.2919
Schistosoma mansoni tar DNA-binding protein 0.0376 0.3276 0.3594
Echinococcus multilocularis cyclin B 0.0043 0.0138 0.0138
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.014 0.1055 0.1055
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0196 0.1585 0.1585
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 0.2513 1
Echinococcus multilocularis p2X purinoceptor 4 0.0067 0.0364 0.0364
Schistosoma mansoni tar DNA-binding protein 0.0376 0.3276 0.3594
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0196 0.1585 0.1585
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0125 0.0498
Leishmania major extracellular receptor, putative 0.0111 0.0777 0.3092
Brugia malayi metabotropic glutamate receptor type 2 0.0152 0.1169 0.1584
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0138 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0043 0.0138 0.0187
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.012 0.0869 0.088
Loa Loa (eye worm) hypothetical protein 0.0039 0.0097 0.0132
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.018 0.0103
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.014 0.1055 0.1091
Loa Loa (eye worm) hypothetical protein 0.0111 0.0777 0.1052
Brugia malayi mbt repeat family protein 0.0047 0.018 0.0244
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.014 0.1049 0.4176
Echinococcus multilocularis tyrosine kinase 0.0111 0.0777 0.0777

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.8 uM In vitro inhibitory activity against human cyclin dependent kinase (CDK2/E) ChEMBL. 11354366
IC50 (binding) = 1.8 uM In vitro inhibitory activity against human cyclin dependent kinase (CDK2/E) ChEMBL. 11354366
IC50 (binding) = 7.7 uM In vitro inhibitory activity against human cyclin dependent kinase (CDK4/D1) ChEMBL. 11354366
IC50 (binding) = 7.7 uM In vitro inhibitory activity against human cyclin dependent kinase (CDK4/D1) ChEMBL. 11354366

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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