Detailed information for compound 87639

Basic information

Technical information
  • TDR Targets ID: 87639
  • Name: [(2R,4S)-2,6-dimethyl-4-(4-methylanilino)-3,4 -dihydro-2H-quinolin-1-yl]-(3-fluorophenyl)me thanone
  • MW: 388.477 | Formula: C25H25FN2O
  • H donors: 1 H acceptors: 1 LogP: 5.85 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc2c(c1)[C@@H](Nc1ccc(cc1)C)C[C@H](N2C(=O)c1cccc(c1)F)C
  • InChi: 1S/C25H25FN2O/c1-16-7-10-21(11-8-16)27-23-14-18(3)28(24-12-9-17(2)13-22(23)24)25(29)19-5-4-6-20(26)15-19/h4-13,15,18,23,27H,14H2,1-3H3/t18-,23+/m1/s1
  • InChiKey: AAKMQRFRNKSENC-JPYJTQIMSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [(2R,4S)-2,6-dimethyl-4-[(4-methylphenyl)amino]-3,4-dihydro-2H-quinolin-1-yl]-(3-fluorophenyl)methanone
  • [(2R,4S)-2,6-dimethyl-4-(p-toluidino)-3,4-dihydro-2H-quinolin-1-yl]-(3-fluorophenyl)methanone
  • ZINC02333804

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Aedes aegypti Ecdysone receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_134445 All targets in OG5_134445
Brugia malayi ecdysteroid receptor Get druggable targets OG5_134445 All targets in OG5_134445
Onchocerca volvulus Bile acid receptor homolog Get druggable targets OG5_134445 All targets in OG5_134445
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
Onchocerca volvulus 0.0299 0.7316 0.7297
Trypanosoma brucei beta tubulin 0.0326 0.8045 1
Loa Loa (eye worm) tubulin beta-1 chain 0.0326 0.8045 0.8031
Echinococcus multilocularis tubulin alpha chain 0.0281 0.6855 0.8509
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.1462 0.1818
Echinococcus multilocularis tubulin alpha 3 chain 0.0281 0.6855 0.8509
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0281 0.6855 0.8522
Schistosoma mansoni tubulin subunit beta 0.0326 0.8045 1
Leishmania major beta tubulin 0.0326 0.8045 1
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0078 0.1462 0.1818
Trypanosoma cruzi tubulin delta chain 0.0083 0.1582 0.1966
Brugia malayi Cell division protein ftsZ 0.0083 0.1582 0.1523
Trypanosoma cruzi epsilon tubulin, putative 0.0191 0.4457 0.554
Brugia malayi Tubulin alpha chain 0.0281 0.6855 0.6834
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0336 0.0335
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.1983 0.24
Loa Loa (eye worm) hypothetical protein 0.0066 0.112 0.1058
Schistosoma mansoni tar DNA-binding protein 0.014 0.3104 0.3805
Giardia lamblia Delta tubulin 0.0083 0.1582 0.0182
Giardia lamblia Beta tubulin 0.0326 0.8045 1
Loa Loa (eye worm) alpha-tubulin 0.0281 0.6855 0.6834
Leishmania major beta tubulin 0.0326 0.8045 1
Echinococcus multilocularis tubulin alpha 0.0191 0.4457 0.5501
Schistosoma mansoni tubulin subunit alpha 0.0281 0.6855 0.8509
Brugia malayi Furin-like cysteine rich region family protein 0.0157 0.355 0.3505
Trichomonas vaginalis tubulin gamma chain, putative 0.0191 0.4457 0.554
Trichomonas vaginalis tubulin, putative 0.0326 0.8045 1
Schistosoma mansoni tyrosine kinase 0.0083 0.1595 0.1913
Trypanosoma brucei alpha tubulin 0.0281 0.6855 0.8494
Trypanosoma cruzi zeta tubulin, putative 0.0083 0.1582 0.1966
Trypanosoma brucei alpha tubulin 0.0281 0.6855 0.8494
Loa Loa (eye worm) alpha-tubulin 0.0281 0.6855 0.6834
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0191 0.4457 0.5457
Brugia malayi Tubulin beta-1 chain 0.0326 0.8045 0.8031
Trichomonas vaginalis tubulin epsilon chain, putative 0.0326 0.8045 1
Brugia malayi Latrophilin receptor protein 2 0.0066 0.112 0.1058
Echinococcus multilocularis tubulin alpha 1C chain 0.0281 0.6855 0.8509
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.005 0.071 0.0803
Leishmania major beta tubulin 0.0326 0.8045 1
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.1462 0.1818
Trypanosoma brucei beta tubulin 0.0326 0.8045 1
Brugia malayi Tubulin alpha-2 chain 0.0281 0.6855 0.6834
Leishmania major beta tubulin 0.0326 0.8045 1
Brugia malayi Tubulin alpha chain 0.0083 0.1582 0.1523
Trypanosoma cruzi epsilon tubulin, putative 0.0191 0.4457 0.554
Echinococcus granulosus Tubulin alpha 1 chain 0.0281 0.6855 0.8509
Giardia lamblia Beta tubulin 0.0326 0.8045 1
Leishmania major alpha tubulin 0.0281 0.6855 0.8522
Echinococcus multilocularis snurportin 1 0.0309 0.759 0.9429
Trypanosoma cruzi tubulin gamma chain 0.0191 0.4457 0.554
Trypanosoma brucei alpha tubulin 0.0281 0.6855 0.8494
Echinococcus granulosus importin subunit beta 1 0.0029 0.0146 0.0096
Leishmania major alpha tubulin 0.0281 0.6855 0.8522
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0098 0.1983 0.1927
Loa Loa (eye worm) tubulin alpha chain 0.0281 0.6855 0.6834
Schistosoma mansoni tubulin subunit beta 0.0326 0.8045 1
Loa Loa (eye worm) hypothetical protein 0.0207 0.4888 0.4853
Echinococcus multilocularis peroxisome assembly protein 26 0.0281 0.6855 0.8509
Echinococcus granulosus Tubulin beta 2C chain 0.0326 0.8045 1
Loa Loa (eye worm) beta-tubulin 0.0326 0.8045 0.8031
Leishmania major alpha tubulin 0.0281 0.6855 0.8522
Trypanosoma brucei beta tubulin 0.0326 0.8045 1
Loa Loa (eye worm) BEN-1 protein 0.0326 0.8045 0.8031
Brugia malayi Tubulin beta chain 0.0108 0.2251 0.2197
Trichomonas vaginalis tubulin beta chain, putative 0.0108 0.2251 0.2798
Loa Loa (eye worm) hypothetical protein 0.0173 0.3981 0.3939
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0066 0.112 0.1318
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0163 0.3713 0.4569
Echinococcus granulosus alpha tubulin 0.0281 0.6855 0.8509
Giardia lamblia Alpha-tubulin 0.0281 0.6855 0.8193
Leishmania major alpha tubulin 0.0281 0.6855 0.8522
Trichomonas vaginalis tubulin beta chain, putative 0.0281 0.6855 0.8522
Schistosoma mansoni hypothetical protein 0.0066 0.112 0.1318
Echinococcus multilocularis tubulin gamma 1 chain 0.0191 0.4457 0.5501
Loa Loa (eye worm) tubulin beta-4 chain 0.0326 0.8045 0.8031
Loa Loa (eye worm) hypothetical protein 0.0281 0.6855 0.6834
Schistosoma mansoni tar DNA-binding protein 0.014 0.3104 0.3805
Giardia lamblia Alpha-tubulin 0.0281 0.6855 0.8193
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0186 0.4314 0.5323
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0186 0.4314 0.5323
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0198 0.465 0.4612
Echinococcus multilocularis Tubulin beta 2C chain 0.0326 0.8045 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0207 0.4888 0.4853
Trichomonas vaginalis tubulin epsilon chain, putative 0.0281 0.6855 0.8522
Trypanosoma brucei epsilon tubulin 0.0191 0.4457 0.5457
Schistosoma mansoni hypothetical protein 0.0142 0.3144 0.3855
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.1462 0.1818
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.1462 0.1818
Brugia malayi latrophilin 2 splice variant baaae 0.0142 0.3144 0.3096
Echinococcus granulosus tubulin alpha 1C chain 0.0281 0.6855 0.8509
Schistosoma mansoni tubulin subunit delta 0.0083 0.1582 0.1897
Leishmania major beta tubulin 0.0326 0.8045 1
Schistosoma mansoni tubulin subunit beta 0.0083 0.1582 0.1897
Plasmodium vivax tubulin alpha chain, putative 0.0281 0.6855 0.8494
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.1462 0.1818
Echinococcus granulosus tubulin gamma 1 chain 0.0191 0.4457 0.5501
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.1983 0.24
Schistosoma mansoni tar DNA-binding protein 0.014 0.3104 0.3805
Brugia malayi Protein kinase domain containing protein 0.005 0.071 0.0645
Schistosoma mansoni tubulin subunit alpha 0.0281 0.6855 0.8509
Loa Loa (eye worm) tubulin alpha-2 chain 0.0281 0.6855 0.6834
Echinococcus multilocularis beta tubulin 0.0326 0.8045 1
Mycobacterium tuberculosis Cell division protein FtsZ 0.0083 0.1582 0.5
Trypanosoma brucei tubulin gamma chain 0.0191 0.4457 0.5457
Trypanosoma brucei alpha tubulin, putative 0.0108 0.2251 0.2665
Plasmodium falciparum alpha tubulin 2 0.0281 0.6855 0.8494
Echinococcus granulosus Tubulin beta 2C chain 0.0326 0.8045 1
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0083 0.1582 0.5
Brugia malayi RNA, U transporter 1 0.0082 0.1564 0.1505
Toxoplasma gondii alpha tubulin TUBA1 0.0281 0.6855 0.8494
Schistosoma mansoni hypothetical protein 0.0066 0.112 0.1318
Schistosoma mansoni tar DNA-binding protein 0.014 0.3104 0.3805
Echinococcus granulosus Tubulin alpha 1 chain 0.0281 0.6855 0.8509
Entamoeba histolytica hypothetical protein 0.0036 0.0336 0.0418
Echinococcus granulosus tubulin alpha chain 0.0281 0.6855 0.8509
Echinococcus granulosus tubulin subunit TubB 0.0281 0.6855 0.8509
Toxoplasma gondii alpha-tubulin I, putative 0.0281 0.6855 0.8494
Loa Loa (eye worm) tubulin gamma chain 0.0191 0.4457 0.4418
Echinococcus multilocularis tubulin alpha chain 0.0281 0.6855 0.8509
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.1462 0.1818
Trichomonas vaginalis tubulin gamma chain, putative 0.0326 0.8045 1
Loa Loa (eye worm) tubulin alpha-3 chain 0.0173 0.3981 0.3939
Trichomonas vaginalis tubulin alpha chain, putative 0.0108 0.2251 0.2798
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0186 0.4314 0.5323
Echinococcus multilocularis tubulin epsilon chain 0.0191 0.4457 0.5501
Trypanosoma brucei epsilon tubulin 0.0191 0.4457 0.5457
Echinococcus multilocularis tubulin beta 1 chain 0.0326 0.8045 1
Echinococcus granulosus Tubulin beta 2C chain 0.0326 0.8045 1
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.0941 0.117
Plasmodium falciparum alpha tubulin 1 0.0281 0.6855 0.8494
Echinococcus granulosus tubulin alpha 0.0191 0.4457 0.5501
Schistosoma mansoni tubulin subunit epsilon 0.0191 0.4457 0.5501
Loa Loa (eye worm) hypothetical protein 0.0186 0.4314 0.4275
Echinococcus granulosus tubulin beta 4A class IVa 0.0326 0.8045 1
Leishmania major epsilon tubulin, putative 0.0191 0.4457 0.554
Loa Loa (eye worm) hypothetical protein 0.0029 0.0146 0.0077
Brugia malayi beta-tubulin, identical 0.0326 0.8045 0.8031
Schistosoma mansoni hypothetical protein 0.0036 0.0336 0.0335
Schistosoma mansoni alpha tubulin 0.0281 0.6855 0.8509
Trichomonas vaginalis tubulin beta chain, putative 0.0281 0.6855 0.8522
Loa Loa (eye worm) hypothetical protein 0.0399 1 1
Loa Loa (eye worm) hypothetical protein 0.0198 0.465 0.4612
Echinococcus multilocularis beta tubulin 0.0326 0.8045 1
Echinococcus granulosus epidermal growth factor receptor 0.0084 0.1619 0.1943
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0163 0.3713 0.4569
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0186 0.4314 0.4333
Leishmania major alpha tubulin 0.0281 0.6855 0.8522
Trypanosoma brucei epsilon tubulin 0.0191 0.4457 0.5457
Echinococcus multilocularis Tubulin alpha 1 chain 0.0281 0.6855 0.8509
Echinococcus granulosus tubulin alpha 3 chain 0.0281 0.6855 0.8509
Echinococcus granulosus Tubulin alpha 1 chain 0.0281 0.6855 0.8509
Loa Loa (eye worm) tubulin alpha 2 0.0198 0.465 0.4612
Echinococcus multilocularis tubulin alpha 3 chain 0.0281 0.6855 0.8509
Brugia malayi Tubulin gamma chain 0.0191 0.4457 0.4418
Loa Loa (eye worm) tubulin alpha chain 0.0281 0.6855 0.6834
Echinococcus granulosus beta tubulin 0.0326 0.8045 1
Echinococcus multilocularis tubulin alpha chain 0.0281 0.6855 0.8509
Echinococcus multilocularis GPCR, family 2 0.0066 0.112 0.1318
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.1983 0.24
Trichomonas vaginalis tubulin alpha chain, putative 0.0326 0.8045 1
Leishmania major beta tubulin 0.0326 0.8045 1
Echinococcus granulosus tubulin alpha 3 chain 0.0281 0.6855 0.8509
Loa Loa (eye worm) latrophilin receptor protein 2 0.0066 0.112 0.1058
Leishmania major beta tubulin 0.0326 0.8045 1
Echinococcus multilocularis tubulin subunit TubB 0.0281 0.6855 0.8509
Leishmania major beta tubulin 0.0326 0.8045 1
Schistosoma mansoni tyrosine kinase 0.0083 0.1595 0.1913
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0066 0.112 0.1318
Schistosoma mansoni alpha tubulin 0.0281 0.6855 0.8509
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0146 0.0096
Brugia malayi Importin beta-1 subunit 0.0029 0.0146 0.0077
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0163 0.3713 0.3669
Echinococcus multilocularis tubulin alpha 1C chain 0.0281 0.6855 0.8509
Echinococcus granulosus tubulin delta chain 0.0083 0.1582 0.1897
Echinococcus granulosus peroxisome assembly protein 26 0.0281 0.6855 0.8509
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.1983 0.24
Echinococcus multilocularis hypothetical protein 0.0281 0.6855 0.8509
Leishmania major beta tubulin 0.0326 0.8045 1
Brugia malayi hypothetical protein 0.0299 0.7316 0.7297
Loa Loa (eye worm) tubulin beta chain 0.0326 0.8045 0.8031
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.1983 0.24
Trichomonas vaginalis tubulin epsilon chain, putative 0.0281 0.6855 0.8522
Brugia malayi Tubulin beta chain 0.0083 0.1582 0.1523
Trichomonas vaginalis tubulin gamma chain, putative 0.0191 0.4457 0.554
Echinococcus granulosus tubulin alpha chain 0.0281 0.6855 0.8509
Brugia malayi ecdysteroid receptor 0.0197 0.4626 0.4589
Leishmania major beta tubulin 0.0326 0.8045 1
Trypanosoma brucei beta tubulin 0.0326 0.8045 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0098 0.1983 0.1927
Trichomonas vaginalis tubulin beta chain, putative 0.0281 0.6855 0.8522
Brugia malayi tubulin alpha chain - mouse 0.0281 0.6855 0.6834
Schistosoma mansoni tyrosine kinase 0.0083 0.1595 0.1913
Echinococcus multilocularis epidermal growth factor receptor 0.0084 0.1619 0.1943
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0173 0.3981 0.4948
Echinococcus multilocularis Tubulin beta 2C chain 0.0326 0.8045 1
Entamoeba histolytica hypothetical protein 0.0036 0.0336 0.0418
Leishmania major beta tubulin 0.0326 0.8045 1
Schistosoma mansoni tubulin subunit beta 0.0326 0.8045 1
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.1462 0.1818
Trichomonas vaginalis tubulin alpha chain, putative 0.0191 0.4457 0.554
Plasmodium vivax tubulin alpha chain, putative 0.0281 0.6855 0.8494
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.1462 0.1818
Giardia lamblia Gamma tubulin 0.0191 0.4457 0.4549
Echinococcus multilocularis 0.0049 0.0668 0.0751
Leishmania major beta tubulin 0.0326 0.8045 1
Schistosoma mansoni tubulin subunit beta 0.0326 0.8045 1
Loa Loa (eye worm) tubulin alpha 2 0.0198 0.465 0.4612
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0326 0.8045 1
Echinococcus multilocularis insulin receptor 0.005 0.071 0.0803
Echinococcus multilocularis tubulin subunit beta 0.0326 0.8045 1
Brugia malayi alpha-tubulin 0.0281 0.6855 0.6834
Trichomonas vaginalis tubulin beta chain, putative 0.0281 0.6855 0.8522
Echinococcus multilocularis tubulin delta chain 0.0083 0.1582 0.1897
Loa Loa (eye worm) TK/EGFR protein kinase 0.0157 0.355 0.3505
Leishmania major beta tubulin 0.0326 0.8045 1
Leishmania major delta tubulin, putative 0.0083 0.1582 0.1966
Echinococcus granulosus tar DNA binding protein 0.014 0.3104 0.3805
Trichomonas vaginalis tubulin gamma chain, putative 0.0083 0.1582 0.1966
Schistosoma mansoni tubulin subunit beta 0.0326 0.8045 1
Brugia malayi RNA binding protein 0.014 0.3104 0.3056
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0078 0.1462 0.1818
Brugia malayi Calcitonin receptor-like protein seb-1 0.0207 0.4888 0.4853
Loa Loa (eye worm) hypothetical protein 0.0299 0.7316 0.7297
Mycobacterium ulcerans cell division protein FtsZ 0.0083 0.1582 0.5
Trichomonas vaginalis tubulin, putative 0.0083 0.1582 0.1966
Trichomonas vaginalis tubulin alpha chain, putative 0.0108 0.2251 0.2798
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0198 0.465 0.578
Entamoeba histolytica tubulin family protein 0.0326 0.8045 1
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0336 0.0335
Mycobacterium leprae cell division protein FtsZ 0.0083 0.1582 0.5
Leishmania major beta tubulin 0.0326 0.8045 1
Toxoplasma gondii beta-tubulin, putative 0.0326 0.8045 1
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.1462 0.1818
Plasmodium vivax tubulin beta chain, putative 0.0326 0.8045 1
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0186 0.4314 0.5323
Echinococcus granulosus Tubulin beta 2C chain 0.0326 0.8045 1
Entamoeba histolytica tubulin alpha chain, putative 0.0281 0.6855 0.8522
Echinococcus multilocularis tar DNA binding protein 0.014 0.3104 0.3805
Entamoeba histolytica tubulin alpha-1 chain 0.0281 0.6855 0.8522
Toxoplasma gondii beta-1 tubulin, putative 0.0326 0.8045 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0326 0.8045 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.1983 0.24
Echinococcus granulosus insulin growth factor 1 receptor beta 0.005 0.071 0.0803
Leishmania major alpha tubulin 0.0281 0.6855 0.8522
Trichomonas vaginalis tubulin, putative 0.0108 0.2251 0.2798
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0186 0.4314 0.5277
Loa Loa (eye worm) tubulin alpha 2 0.009 0.1775 0.1718
Trypanosoma brucei zeta tubulin 0.0083 0.1582 0.1818
Trichomonas vaginalis tubulin alpha chain, putative 0.0108 0.2251 0.2798
Brugia malayi TAR-binding protein 0.014 0.3104 0.3056
Echinococcus granulosus insulin receptor 0.005 0.071 0.0803
Schistosoma mansoni alpha tubulin 0.0281 0.6855 0.8509
Leishmania major alpha tubulin 0.0281 0.6855 0.8522
Echinococcus granulosus tubulin alpha chain 0.0281 0.6855 0.8509
Treponema pallidum cell division protein FtsZ 0.0083 0.1582 0.5
Echinococcus granulosus beta tubulin 0.0326 0.8045 1
Trichomonas vaginalis tubulin beta-1 chain, putative 0.0083 0.1582 0.1966
Trichomonas vaginalis tubulin epsilon chain, putative 0.0326 0.8045 1
Trypanosoma cruzi alpha tubulin, putative 0.0281 0.6855 0.8522
Plasmodium vivax tubulin epsilon chain, putative 0.0191 0.4457 0.5457
Loa Loa (eye worm) TAR-binding protein 0.014 0.3104 0.3056
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0066 0.112 0.1318
Schistosoma mansoni tubulin subunit alpha 0.0083 0.1582 0.1897
Loa Loa (eye worm) RNA binding protein 0.014 0.3104 0.3056
Trichomonas vaginalis tubulin, putative 0.0108 0.2251 0.2798
Schistosoma mansoni tyrosine kinase 0.005 0.071 0.0803
Echinococcus multilocularis Tubulin beta 2C chain 0.0326 0.8045 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0326 0.8045 1
Echinococcus granulosus tubulin alpha 1C chain 0.0281 0.6855 0.8509
Echinococcus multilocularis tubulin alpha chain 0.0281 0.6855 0.8509
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0163 0.3713 0.3669
Entamoeba histolytica hypothetical protein 0.0036 0.0336 0.0418
Trypanosoma brucei zeta tubulin, putative 0.0083 0.1582 0.1818
Leishmania major beta tubulin 0.0326 0.8045 1
Toxoplasma gondii beta tubulin 0.0326 0.8045 1
Trypanosoma cruzi tubulin delta chain 0.0083 0.1582 0.1966
Echinococcus multilocularis Tubulin alpha 1 chain 0.0281 0.6855 0.8509
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0309 0.759 0.7573
Leishmania major alpha tubulin 0.0281 0.6855 0.8522
Schistosoma mansoni importin beta-1 0.0029 0.0146 0.0096
Loa Loa (eye worm) tubulin beta chain 0.0083 0.1582 0.1523
Onchocerca volvulus Bile acid receptor homolog 0.0197 0.4626 0.4589
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.1462 0.1818
Loa Loa (eye worm) hypothetical protein 0.0142 0.3144 0.3096
Giardia lamblia Beta tubulin 0.0326 0.8045 1
Entamoeba histolytica tubulin gamma chain 0.0191 0.4457 0.554
Entamoeba histolytica tubulin family protein 0.0326 0.8045 1
Echinococcus multilocularis tubulin alpha chain 0.0281 0.6855 0.8509
Schistosoma mansoni hypothetical protein 0.0066 0.112 0.1318
Trypanosoma brucei tubulin delta chain 0.0083 0.1582 0.1818
Plasmodium falciparum tubulin gamma chain 0.0191 0.4457 0.5457
Schistosoma mansoni tyrosine kinase 0.0084 0.1619 0.1943
Schistosoma mansoni hypothetical protein 0.0309 0.759 0.9429
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0336 0.0335
Echinococcus granulosus snurportin 1 0.0309 0.759 0.9429
Entamoeba histolytica hypothetical protein 0.0036 0.0336 0.0418
Loa Loa (eye worm) tubulin beta-2A chain 0.0326 0.8045 0.8031
Echinococcus granulosus Tubulin beta 2C chain 0.0326 0.8045 1
Echinococcus granulosus tubulin alpha chain 0.0281 0.6855 0.8509
Brugia malayi hypothetical protein 0.0036 0.0336 0.0269
Leishmania major beta tubulin 0.0326 0.8045 1
Plasmodium falciparum tubulin beta chain 0.0326 0.8045 1
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.1462 0.1818
Schistosoma mansoni tyrosine kinase 0.0084 0.1619 0.1943
Onchocerca volvulus 0.0108 0.2251 0.2197
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0083 0.1582 0.1818
Leishmania major beta tubulin 0.0326 0.8045 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0207 0.4888 0.4853
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0186 0.4314 0.5323
Schistosoma mansoni tyrosine kinase 0.005 0.071 0.0803
Echinococcus granulosus epidermal growth factor receptor 0.0157 0.355 0.4365
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.1462 0.1818
Schistosoma mansoni tubulin subunit alpha 0.0281 0.6855 0.8509
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0083 0.1582 0.1818
Plasmodium falciparum tubulin epsilon chain, putative 0.0191 0.4457 0.5457
Trypanosoma brucei beta tubulin 0.0191 0.4457 0.5457
Leishmania major alpha tubulin 0.0281 0.6855 0.8522
Trichomonas vaginalis tubulin beta chain, putative 0.0326 0.8045 1
Leishmania major zeta tubulin, putative 0.0083 0.1582 0.1966
Schistosoma mansoni tubulin subunit beta 0.0326 0.8045 1
Echinococcus granulosus GPCR family 2 0.0066 0.112 0.1318
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0108 0.2251 0.2798
Leishmania major gamma-tubulin 0.0191 0.4457 0.554
Leishmania major beta tubulin 0.0326 0.8045 1
Giardia lamblia Epsilon tubulin 0.0083 0.1582 0.0182
Leishmania major alpha tubulin 0.0281 0.6855 0.8522
Echinococcus granulosus tubulin alpha chain 0.0281 0.6855 0.8509
Trichomonas vaginalis tubulin beta chain, putative 0.0281 0.6855 0.8522
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0078 0.1462 0.1818
Echinococcus granulosus tubulin subunit beta 0.0326 0.8045 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0281 0.6855 0.8509
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.014 0.3104 0.3056
Loa Loa (eye worm) hypothetical protein 0.0197 0.4626 0.4589
Schistosoma mansoni tar DNA-binding protein 0.014 0.3104 0.3805
Trypanosoma brucei alpha tubulin 0.0281 0.6855 0.8494
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.1983 0.24
Trichomonas vaginalis tubulin epsilon chain, putative 0.0083 0.1582 0.1966
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0399 1 1
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0084 0.1619 0.1943
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.1582 0.1966
Leishmania major alpha tubulin 0.0281 0.6855 0.8522
Schistosoma mansoni hypothetical protein 0.0066 0.112 0.1318
Schistosoma mansoni tyrosine kinase 0.0157 0.355 0.4365
Plasmodium vivax delta tubulin, putative 0.0083 0.1582 0.1818
Echinococcus granulosus tubulin beta 1 chain 0.0326 0.8045 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0066 0.112 0.1058
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.1582 0.1966
Plasmodium falciparum tubulin delta chain, putative 0.0083 0.1582 0.1818
Loa Loa (eye worm) BEN-1 protein 0.0326 0.8045 0.8031
Trichomonas vaginalis tubulin beta chain, putative 0.0281 0.6855 0.8522
Brugia malayi Tubulin alpha-2 chain 0.0281 0.6855 0.6834
Plasmodium vivax tubulin gamma chain, putative 0.0191 0.4457 0.5457
Echinococcus multilocularis epidermal growth factor receptor 0.0157 0.355 0.4365
Leishmania major alpha tubulin 0.0281 0.6855 0.8522
Brugia malayi RNA recognition motif domain containing protein 0.014 0.3104 0.3056
Trypanosoma cruzi zeta tubulin, putative 0.0083 0.1582 0.1966
Echinococcus granulosus tubulin epsilon chain 0.0191 0.4457 0.5501
Schistosoma mansoni tubulin subunit gamma 0.0191 0.4457 0.5501
Brugia malayi tubulin alpha-2 chain 0.0281 0.6855 0.6834
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.1462 0.1818
Loa Loa (eye worm) TK/INSR protein kinase 0.005 0.071 0.0645
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0066 0.112 0.1318
Trypanosoma cruzi beta tubulin, putative 0.0326 0.8045 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 3 uM Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor ChEMBL. 12749904
EC50 (functional) = 3 uM Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor ChEMBL. 12749904
Fold induction (functional) = 102 Fold induction of ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor at 33 uM ChEMBL. 12749904
Fold induction (functional) = 102 Fold induction of ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor at 33 uM ChEMBL. 12749904
Rel Max FI (functional) = 0.27 Ratio of maximal ecdysone-dependent transactivation in cell line expressing Aedes aegypti ecdysone receptor compared to cpd2 ChEMBL. 12749904
Rel Max FI (functional) = 0.27 Ratio of maximal ecdysone-dependent transactivation in cell line expressing Aedes aegypti ecdysone receptor compared to cpd2 ChEMBL. 12749904

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.

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