Detailed information for compound 175613

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 500.585 | Formula: C30H32N2O5
  • H donors: 1 H acceptors: 3 LogP: 5.11 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCO/C(=C/1\C(=NC(=C(C1c1c(CCc2ccccc2)onc1c1ccccc1)C(=O)OCC)C)C)/O
  • InChi: 1S/C30H32N2O5/c1-5-35-29(33)24-19(3)31-20(4)25(30(34)36-6-2)27(24)26-23(18-17-21-13-9-7-10-14-21)37-32-28(26)22-15-11-8-12-16-22/h7-16,27,33H,5-6,17-18H2,1-4H3/b29-24+
  • InChiKey: HMVLNQGQWYEOQC-RMLRFSFXSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit Starlite/ChEMBL References
Homo sapiens calcium channel, voltage-dependent, L type, alpha 1C subunit Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni high voltage-activated calcium channel Cav1 Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent P/Q-type calcium channel subunit alpha-1A, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent P/Q-type calcium channel subunit alpha-1A, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum ko:K04850 calcium channel, voltage-dependent, L type, alpha 1C subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum expressed protein Get druggable targets OG5_126791 All targets in OG5_126791
Toxoplasma gondii hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum ko:K04849 calcium channel, voltage-dependent, N type, alpha 1B subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent P/Q-type calcium channel subunit alpha-1A, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent P/Q-type calcium channel subunit alpha-1A, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent calcium channel type A subunit alpha-1, putative Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma mansoni high voltage-activated calcium channel Cav2A Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis voltage dependent L type calcium channel subunit Get druggable targets OG5_126791 All targets in OG5_126791
Trypanosoma congolense Voltage-dependent calcium channel subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis voltage dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma mansoni voltage-gated cation channel Get druggable targets OG5_126791 All targets in OG5_126791
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Probable voltage-dependent R-type calcium channel subunit alpha-1E, putative Get druggable targets OG5_126791 All targets in OG5_126791
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Muscle calcium channel subunit alpha-1, putative Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis voltage dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Neospora caninum hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus granulosus voltage dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis voltage dependent calcium channel type d subunit Get druggable targets OG5_126791 All targets in OG5_126791
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) voltage-dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum ko:K04344 calcium channel, voltage-dependent, P/Q type, alpha 1A subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent N-type calcium channel subunit alpha-1B, putative Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis voltage dependent calcium channel type d subunit Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent P/Q-type calcium channel subunit alpha-1A, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum ko:K04853 calcium channel, voltage-dependent, L type, alpha 1F subunit, putative Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus granulosus voltage dependent calcium channel Get druggable targets OG5_126791 All targets in OG5_126791
Echinococcus multilocularis voltage dependent L type calcium channel subunit Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum expressed protein Get druggable targets OG5_126791 All targets in OG5_126791
Toxoplasma gondii transporter, cation channel family protein Get druggable targets OG5_126791 All targets in OG5_126791
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent calcium channel type D subunit alpha-1, putative Get druggable targets OG5_126791 All targets in OG5_126791
Trypanosoma brucei gambiense calcium channel protein, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent calcium channel type A subunit alpha-1, putative Get druggable targets OG5_126791 All targets in OG5_126791
Schistosoma japonicum Voltage-dependent calcium channel type D subunit alpha-1, putative Get druggable targets OG5_126791 All targets in OG5_126791
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
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0116 0.0415 0.0161
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.1692 0.1481
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0116 0.0415 0.0161
Trichomonas vaginalis PIKK family atypical protein kinase 0.1436 0.7904 0.785
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0116 0.0415 0.0334
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0116 0.0415 0.0161
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0341 0.1692 0.1654
Loa Loa (eye worm) phosphatidylinositol 3 0.0116 0.0415 0.0403
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0186 0.0809 0.0731
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0186 0.0809 0.0809
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0116 0.0415 0.0415
Trichomonas vaginalis PIKK family atypical protein kinase 0.0975 0.5287 0.5167
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.1692 0.1481
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0116 0.0415 0.0172
Loa Loa (eye worm) calcium channel 0.0186 0.0809 0.0797
Trichomonas vaginalis PIKK family atypical protein kinase 0.1342 0.7375 0.7308
Echinococcus granulosus pangolin 0.0058 0.0085 0.0085
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.1805 1 1
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0116 0.0415 0.0172
Echinococcus granulosus survival motor neuron protein 1 0.0087 0.0247 0.0247
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0116 0.0415 0.0161
Loa Loa (eye worm) HMG box family protein 0.0058 0.0085 0.0072
Trichomonas vaginalis PIKK family atypical protein kinase 0.1068 0.5816 0.5709
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0116 0.0415 0.0415
Loa Loa (eye worm) phosphatidylinositol 3 0.0116 0.0415 0.0403
Echinococcus multilocularis voltage dependent calcium channel 0.0186 0.0809 0.0809
Echinococcus granulosus voltage dependent calcium channel 0.0186 0.0809 0.0809
Toxoplasma gondii transporter, cation channel family protein 0.0052 0.0049 0.0048
Trichomonas vaginalis PIKK family atypical protein kinase 0.0973 0.5278 0.5158
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0116 0.0415 0.0334
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0116 0.0415 0.0372
Trichomonas vaginalis conserved hypothetical protein 0.0264 0.1252 0.103
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0116 0.0415 0.0172
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0264 0.1252 0.1252
Trichomonas vaginalis PIKK family atypical protein kinase 0.1078 0.5876 0.5772
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0186 0.0809 0.0731
Trypanosoma brucei target of rapamycin kinase 3, putative 0.1437 0.7912 0.7857
Onchocerca volvulus Cirhin homolog 0.0119 0.0429 1
Brugia malayi hypothetical protein 0.0087 0.0247 0.0202
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0116 0.0415 0.5
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0186 0.0809 0.0809
Trichomonas vaginalis conserved hypothetical protein 0.038 0.1913 0.1708
Trichomonas vaginalis PIKK family atypical protein kinase 0.1805 1 1
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0116 0.0415 0.0334
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0605 0.319 0.3009
Trichomonas vaginalis PIKK family atypical protein kinase 0.1078 0.5876 0.5772
Trichomonas vaginalis PIKK family atypical protein kinase 0.0605 0.319 0.3017
Onchocerca volvulus 0.0051 0.0045 0.0053
Echinococcus multilocularis survival motor neuron protein 1 0.0087 0.0247 0.0247
Loa Loa (eye worm) phosphatidylinositol 3 0.0605 0.319 0.3181
Trichomonas vaginalis PIKK family atypical protein kinase 0.1805 1 1
Loa Loa (eye worm) phosphatidylinositol kinase 0.0116 0.0415 0.0403
Loa Loa (eye worm) phosphatidylinositol 3 0.0116 0.0415 0.0403
Entamoeba histolytica hypothetical protein 0.0341 0.1692 0.1332
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0116 0.0415 0.0546
Trichomonas vaginalis PIKK family atypical protein kinase 0.1436 0.7904 0.785
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0341 0.1692 0.1692
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.1805 1 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0605 0.319 0.3009
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0341 0.1692 0.1332
Trichomonas vaginalis PIKK family atypical protein kinase 0.0605 0.319 0.3017
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0116 0.0415 0.5
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0116 0.0415 0.0172
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0605 0.319 0.319
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0116 0.0415 0.0161
Brugia malayi Armadillo/beta-catenin-like repeat family protein 0.012 0.0434 0.039
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0605 0.319 0.3132
Schistosoma mansoni hypothetical protein 0.0264 0.1252 0.1178
Trichomonas vaginalis PIKK family atypical protein kinase 0.1068 0.5816 0.5709
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0116 0.0415 0.0546
Trichomonas vaginalis PIKK family atypical protein kinase 0.0484 0.2503 0.2313
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0116 0.0415 0.0172
Brugia malayi HMG box family protein 0.0058 0.0085 0.0039
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0225 0.1031 0.0793
Plasmodium vivax hypothetical protein 0.0116 0.0415 0.5
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0116 0.0415 0.0372
Onchocerca volvulus 0.0087 0.0248 0.5295
Loa Loa (eye worm) hypothetical protein 0.0368 0.1842 0.1832
Trichomonas vaginalis PIKK family atypical protein kinase 0.1172 0.6405 0.6314
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0186 0.0809 0.0809
Loa Loa (eye worm) hypothetical protein 0.0186 0.0809 0.0797
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0116 0.0415 0.0172
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0605 0.319 0.3159
Loa Loa (eye worm) phosphatidylinositol 3 0.0116 0.0415 0.0403
Trichomonas vaginalis PIKK family atypical protein kinase 0.0605 0.319 0.3017
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.1805 1 1
Schistosoma mansoni fkbp-rapamycin associated protein 0.0341 0.1692 0.1621
Mycobacterium tuberculosis Conserved hypothetical protein 0.0116 0.0415 0.5
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.1805 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0605 0.319 0.3017
Trichomonas vaginalis PIKK family atypical protein kinase 0.0116 0.0415 0.0172
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0116 0.0415 0.0415
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.1805 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0116 0.0415 0.0172
Loa Loa (eye worm) voltage-dependent calcium channel 0.0052 0.0049 0.0036
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0116 0.0415 0.0372
Trichomonas vaginalis PIKK family atypical protein kinase 0.0116 0.0415 0.0172
Trichomonas vaginalis PIKK family atypical protein kinase 0.1541 0.8502 0.8464
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0116 0.0415 0.0546
Trichomonas vaginalis PIKK family atypical protein kinase 0.1436 0.7904 0.785
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0854 0.46 0.4456
Echinococcus multilocularis 0.0116 0.0415 0.0415
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0116 0.0415 0.0372
Echinococcus multilocularis beta catenin 0.012 0.0434 0.0434
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0186 0.0809 0.0809
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0341 0.1692 0.1471
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0116 0.0415 0.0546
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0341 0.1692 0.1471
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0116 0.0415 0.0161
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0116 0.0415 0.0415
Giardia lamblia GTOR 0.1805 1 1
Plasmodium vivax hypothetical protein, conserved 0.0116 0.0415 0.5
Mycobacterium leprae conserved hypothetical protein 0.0116 0.0415 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.1342 0.7375 0.7308
Schistosoma mansoni hypothetical protein 0.0212 0.0957 0.088
Trichomonas vaginalis PIKK family atypical protein kinase 0.0975 0.5287 0.5167
Echinococcus multilocularis serine protein kinase ATM 0.0341 0.1692 0.1692
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0116 0.0415 0.0172
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0605 0.319 0.2895
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0116 0.0415 0.0415
Loa Loa (eye worm) hypothetical protein 0.0116 0.0415 0.0403
Trichomonas vaginalis PIKK family atypical protein kinase 0.0975 0.5287 0.5167
Echinococcus granulosus hypothetical protein 0.027 0.1284 0.1284
Trichomonas vaginalis PIKK family atypical protein kinase 0.1436 0.7904 0.785
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0116 0.0415 0.0334
Entamoeba histolytica protein kinase rad3, putative 0.0341 0.1692 0.1332
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0116 0.0415 0.0415
Loa Loa (eye worm) HMP-2 protein 0.012 0.0434 0.0421
Loa Loa (eye worm) hypothetical protein 0.0087 0.0247 0.0234
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0186 0.0809 0.0809
Echinococcus granulosus beta catenin 0.012 0.0434 0.0434
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0076 0.0188 0.0175
Brugia malayi Pre-SET motif family protein 0.0076 0.0188 0.0143
Loa Loa (eye worm) hypothetical protein 0.0341 0.1692 0.1681
Trichomonas vaginalis PIKK family atypical protein kinase 0.1342 0.7375 0.7308
Loa Loa (eye worm) hypothetical protein 0.0116 0.0415 0.0403
Echinococcus granulosus tyrosine protein kinase shark 0.008 0.021 0.021
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0116 0.0415 0.0172
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0186 0.0809 0.0809
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0116 0.0415 0.0161
Leishmania major phosphatidylinositol 3-kinase, putative 0.0605 0.319 0.2895
Trichomonas vaginalis PIKK family atypical protein kinase 0.0341 0.1692 0.1481
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0605 0.319 0.3009
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0116 0.0415 0.0415
Echinococcus granulosus serine protein kinase ATM 0.0341 0.1692 0.1692
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0116 0.0415 0.0172
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0116 0.0415 0.5
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.1805 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0973 0.5278 0.5158
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0116 0.0415 0.0161
Schistosoma mansoni tyrosine kinase 0.008 0.021 0.0126
Trichomonas vaginalis PIKK family atypical protein kinase 0.0975 0.5287 0.5167
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0116 0.0415 0.0334
Trichomonas vaginalis PIKK family atypical protein kinase 0.1436 0.7904 0.785
Loa Loa (eye worm) hypothetical protein 0.0225 0.1031 0.1019
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0116 0.0415 0.0334
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0186 0.0809 0.0809
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.075 0.401 0.3851
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0116 0.0415 0.0161
Echinococcus granulosus voltage dependent calcium channel 0.0052 0.0049 0.0049
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0341 0.1692 0.1692
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0605 0.319 0.3009
Echinococcus multilocularis Zinc finger, PHD finger 0.0116 0.0415 0.0415
Loa Loa (eye worm) hypothetical protein 0.0264 0.1252 0.1241
Onchocerca volvulus 0.0116 0.0415 0.9642
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0116 0.0415 0.0546
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0116 0.0415 0.0415
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.1805 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0225 0.1031 0.0803
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0116 0.0415 0.5
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0116 0.0415 0.0415
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0605 0.319 0.319
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.1805 1 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0049 0.0036
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0116 0.0415 0.0372
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0116 0.0415 0.0172
Trichomonas vaginalis PIKK family atypical protein kinase 0.0973 0.5278 0.5158
Trichomonas vaginalis PIKK family atypical protein kinase 0.1078 0.5876 0.5772
Trichomonas vaginalis PIKK family atypical protein kinase 0.1342 0.7375 0.7308
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0116 0.0415 0.0372
Trichomonas vaginalis PIKK family atypical protein kinase 0.1342 0.7375 0.7308
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0116 0.0415 0.0161
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0116 0.0415 0.0415
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0116 0.0415 0.5
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0116 0.0415 0.0172
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0116 0.0415 0.5
Toxoplasma gondii FATC domain-containing protein 0.0341 0.1692 0.2281
Trichomonas vaginalis PIKK family atypical protein kinase 0.1342 0.7375 0.7308
Trichomonas vaginalis PIKK family atypical protein kinase 0.0605 0.319 0.3017
Loa Loa (eye worm) phosphatidylinositol 3 0.0116 0.0415 0.0403
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0116 0.0415 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.1805 1 1
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0116 0.0415 0.0403
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0116 0.0415 0.0161
Trichomonas vaginalis PIKK family atypical protein kinase 0.0225 0.1031 0.0803
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0341 0.1692 0.1471
Echinococcus multilocularis voltage dependent calcium channel 0.0186 0.0809 0.0809
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0116 0.0415 0.0415
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0116 0.0415 0.0415
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0186 0.0809 0.0767
Loa Loa (eye worm) hypothetical protein 0.0051 0.0045 0.0032
Echinococcus granulosus T cell transcription factor 4 long C terminal 0.0058 0.0085 0.0085
Toxoplasma gondii non-specific serine/threonine protein kinase 0.038 0.1913 0.2582
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.1805 1 1
Trypanosoma cruzi target of rapamycin kinase 3 0.1437 0.7912 0.7857
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0116 0.0415 0.0415
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0264 0.1252 0.1252
Schistosoma mansoni tyrosine kinase 0.0078 0.0199 0.0116
Loa Loa (eye worm) hypothetical protein 0.038 0.1913 0.1903
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.1805 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0341 0.1692 0.1654
Schistosoma mansoni voltage-gated cation channel 0.0186 0.0809 0.0731
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0116 0.0415 0.0161
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0116 0.0415 0.0161
Onchocerca volvulus 0.0116 0.0415 0.9642
Echinococcus multilocularis protein pangolin J 0.0058 0.0085 0.0085
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0116 0.0415 0.0372
Schistosoma mansoni beta-catenin 0.012 0.0434 0.0352
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0116 0.0415 0.0161
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.1805 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1805 1 1
Toxoplasma gondii target of rapamycin (TOR), putative 0.1342 0.7375 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0116 0.0415 0.0334
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0116 0.0415 0.0415
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0116 0.0415 0.0172
Echinococcus multilocularis T cell transcription factor 4 long C terminal 0.0058 0.0085 0.0085
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.1437 0.7912 0.7822
Brugia malayi FAT domain containing protein 0.0264 0.1252 0.1212
Echinococcus multilocularis tyrosine protein kinase shark 0.008 0.021 0.021
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0341 0.1692 0.1621
Trichomonas vaginalis PIKK family atypical protein kinase 0.1342 0.7375 0.7308
Trichomonas vaginalis PIKK family atypical protein kinase 0.1211 0.6627 0.6541
Schistosoma mansoni hypothetical protein 0.0116 0.0415 0.0334

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 27.6 % Inhibition of MDR1 in human Caco2 cells assessed as calcein accumulation after 30 mins by fluorescence assay ChEMBL. 23063517
Ki (binding) = 0.0000000553 M Displacement of [3H]-(+)-PN200-110 binding from calcium channels of rat cardiac membranes. ChEMBL. 10447952
Ki (binding) = 0.0000000553 M Displacement of [3H]-(+)-PN200-110 binding from calcium channels of rat cardiac membranes. ChEMBL. 10447952
Ki (binding) = 0.0000000729 M Displacement of [3H]-(+)-PN200-110 binding to calcium channels in guinea pig cardiac membranes. ChEMBL. 10447952
Ki (binding) = 0.0000000729 M Displacement of [3H]-(+)-PN200-110 binding to calcium channels in guinea pig cardiac membranes. ChEMBL. 10447952
nH (ADMET) = 0.83 Hill coefficient of the compound was calculated ChEMBL. 10447952
nH (ADMET) = 0.9 Hill coefficient of the compound was calculated ChEMBL. 10447952

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

2 literature references were collected for this gene.

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