Detailed information for compound 1325294

Basic information

Technical information
  • TDR Targets ID: 1325294
  • Name: 8-cyclopropyl-2-(phenoxy)-6-phenylpteridin-7- one
  • MW: 356.377 | Formula: C21H16N4O2
  • H donors: 0 H acceptors: 3 LogP: 3.56 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1c(nc2c(n1C1CC1)nc(nc2)Oc1ccccc1)c1ccccc1
  • InChi: 1S/C21H16N4O2/c26-20-18(14-7-3-1-4-8-14)23-17-13-22-21(27-16-9-5-2-6-10-16)24-19(17)25(20)15-11-12-15/h1-10,13,15H,11-12H2
  • InChiKey: OLXPQBJJGKGKCJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 8-cyclopropyl-2-(phenoxy)-6-phenyl-pteridin-7-one
  • 8-cyclopropyl-2-(phenoxy)-6-phenyl-7-pteridinone
  • NCGC00010635
  • PCOP-209514

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0089 0.0117 0.0178
Echinococcus granulosus serotonin transporter 0.0089 0.0117 0.0138
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0012 0.0532
Brugia malayi hypothetical protein 0.0378 0.1209 0.1209
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0378 0.1209 0.1572
Brugia malayi hypothetical protein 0.0378 0.1209 0.1209
Brugia malayi MAP kinase sur-1 0.0062 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0378 0.1209 0.1198
Schistosoma mansoni neuropeptide receptor 0.0323 0.1002 0.167
Leishmania major cyclin 0.0088 0.0112 1
Trichomonas vaginalis cyclin B, putative 0.0088 0.0112 1
Schistosoma mansoni nAChR subunit 0.0819 0.2879 0.4802
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0378 0.1209 0.1209
Loa Loa (eye worm) hypothetical protein 0.0378 0.1209 0.1198
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0819 0.2879 0.2871
Trichomonas vaginalis cyclin B, putative 0.0088 0.0112 1
Loa Loa (eye worm) hypothetical protein 0.0667 0.2304 0.2295
Trichomonas vaginalis cyclin B, putative 0.0088 0.0112 1
Loa Loa (eye worm) hypothetical protein 0.0441 0.145 0.1439
Loa Loa (eye worm) hypothetical protein 0.0441 0.145 0.1439
Loa Loa (eye worm) hypothetical protein 0.1431 0.5198 0.5192
Loa Loa (eye worm) hypothetical protein 0.0819 0.2879 0.2871
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0819 0.2879 0.2879
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0819 0.2879 0.3766
Echinococcus granulosus nAChR subunit 0.0819 0.2879 0.3766
Schistosoma mansoni hypothetical protein 0.01 0.0159 0.0265
Loa Loa (eye worm) hypothetical protein 0.0569 0.1933 0.1923
Loa Loa (eye worm) hypothetical protein 0.0819 0.2879 0.2871
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0819 0.2879 0.3766
Toxoplasma gondii hypothetical protein 0.0066 0.003 1
Echinococcus multilocularis integrin alpha ps 0.0542 0.1831 0.2389
Brugia malayi EGF-like domain containing protein 0.0066 0.003 0.003
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.1801 0.6597 0.8649
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0819 0.2879 0.4802
Echinococcus multilocularis glycine receptor subunit beta 0.0819 0.2879 0.3766
Brugia malayi hypothetical protein 0.043 0.1408 0.1408
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0819 0.2879 0.4802
Brugia malayi Cyclin, N-terminal domain containing protein 0.0088 0.0112 0.0112
Brugia malayi hypothetical protein 0.0378 0.1209 0.1209
Giardia lamblia G2/mitotic-specific cyclin B 0.0088 0.0112 1
Onchocerca volvulus 0.0569 0.1933 0.293
Echinococcus granulosus glycine receptor subunit alpha 1 0.0819 0.2879 0.3766
Brugia malayi Trypsin family protein 0.0569 0.1933 0.1933
Loa Loa (eye worm) hypothetical protein 0.0346 0.1089 0.1078
Loa Loa (eye worm) hypothetical protein 0.0819 0.2879 0.2871
Echinococcus granulosus glycine receptor subunit alpha 1 0.0819 0.2879 0.3766
Loa Loa (eye worm) hypothetical protein 0.0819 0.2879 0.2871
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0089 0.0117 0.0117
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0012 0.0532
Giardia lamblia High cysteine protein 0.0066 0.003 0.1756
Loa Loa (eye worm) hypothetical protein 0.0819 0.2879 0.2871
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0441 0.145 0.2417
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0819 0.2879 0.2879
Loa Loa (eye worm) hypothetical protein 0.0819 0.2879 0.2871
Loa Loa (eye worm) hypothetical protein 0.0378 0.1209 0.1198
Loa Loa (eye worm) hypothetical protein 0.0378 0.1209 0.1198
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0378 0.1209 0.1198
Giardia lamblia Neurogenic locus notch-like protein 0.0066 0.003 0.1756
Loa Loa (eye worm) hypothetical protein 0.0378 0.1209 0.1198
Schistosoma mansoni hypothetical protein 0.0935 0.3321 0.5539
Echinococcus multilocularis G protein coupled receptor 139 0.0323 0.1002 0.1299
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0819 0.2879 0.2879
Onchocerca volvulus 0.052 0.175 0.2652
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0378 0.1209 0.1209
Schistosoma mansoni acetylcholine receptor subunit beta 0.0378 0.1209 0.2017
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.1801 0.6597 0.8649
Loa Loa (eye worm) ACC-1 protein 0.0819 0.2879 0.2871
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0378 0.1209 0.1572
Trypanosoma cruzi cyclin, putative 0.0088 0.0112 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0569 0.1933 0.3223
Trichomonas vaginalis cyclins, putative 0.0088 0.0112 1
Loa Loa (eye worm) hypothetical protein 0.0935 0.3321 0.3313
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0089 0.0117 0.0196
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0378 0.1209 0.1209
Loa Loa (eye worm) hypothetical protein 0.0378 0.1209 0.1198
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0441 0.145 0.2417
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.1801 0.6597 0.8649
Schistosoma mansoni integrin alpha-ps 0.0282 0.0848 0.1413
Echinococcus multilocularis cyclin B 0.0088 0.0112 0.0131
Loa Loa (eye worm) hypothetical protein 0.0819 0.2879 0.2871
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.0861 0.1114
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0819 0.2879 0.2879
Loa Loa (eye worm) hypothetical protein 0.0066 0.003 0.0018
Schistosoma mansoni nAChR subunit 0.0819 0.2879 0.4802
Brugia malayi Cation transporter family protein 0.1431 0.5198 0.5198
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.0861 0.1114
Brugia malayi Integrin alpha pat-2 precursor 0.1209 0.4356 0.4356
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0378 0.1209 0.1209
Schistosoma mansoni neurotransmitter gated ion channel 0.0441 0.145 0.2417
Schistosoma mansoni cyclin B 0.0088 0.0112 0.0187
Loa Loa (eye worm) hypothetical protein 0.0819 0.2879 0.2871
Onchocerca volvulus 0.1431 0.5198 0.7879
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0012 0.0532
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0819 0.2879 0.2879
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0819 0.2879 0.3766
Onchocerca volvulus 0.0378 0.1209 0.1833
Loa Loa (eye worm) hypothetical protein 0.0378 0.1209 0.1198
Trypanosoma cruzi cyclin, putative 0.0088 0.0112 1
Loa Loa (eye worm) hypothetical protein 0.01 0.0159 0.0147
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.1801 0.6597 0.8649
Onchocerca volvulus Putative nachr subunit 0.1801 0.6597 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0147 0.0335 0.0335
Loa Loa (eye worm) hypothetical protein 0.0441 0.145 0.1439
Echinococcus granulosus nAChR subunit 0.0441 0.145 0.1888
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.1801 0.6597 0.8649
Loa Loa (eye worm) hypothetical protein 0.0819 0.2879 0.2871
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0578 0.1969 0.3283
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0378 0.1209 0.1198
Echinococcus multilocularis protein jagged 2 0.0066 0.003 0.0023
Echinococcus multilocularis integrin alpha 3 0.0926 0.3288 0.4302
Trypanosoma cruzi CYC2-like cyclin, putative 0.0088 0.0112 1
Onchocerca volvulus 0.0819 0.2879 0.4365
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0441 0.145 0.145
Echinococcus granulosus small conductance calcium activated potassium 0.0935 0.3321 0.4346
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0819 0.2879 0.3766
Loa Loa (eye worm) kelch domain-containing protein family protein 0.043 0.1408 0.1398
Echinococcus multilocularis adam 0.0066 0.003 0.0023
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0819 0.2879 0.2871
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0441 0.145 0.145
Schistosoma mansoni nAChR subunit 0.0819 0.2879 0.4802
Loa Loa (eye worm) hypothetical protein 0.0378 0.1209 0.1198
Schistosoma mansoni hypothetical protein 0.026 0.0763 0.1272
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0819 0.2879 0.2871
Echinococcus granulosus neuropeptide receptor 0.0323 0.1002 0.1299
Onchocerca volvulus 0.0201 0.054 0.0818
Brugia malayi EGF-like domain containing protein 0.0066 0.003 0.003
Brugia malayi latrophilin 2 splice variant baaae 0.01 0.0159 0.0159
Loa Loa (eye worm) hypothetical protein 0.0441 0.145 0.1439
Trypanosoma cruzi cyclin 6, putative 0.0088 0.0112 1
Trichomonas vaginalis cyclin A, putative 0.0088 0.0112 1
Loa Loa (eye worm) hypothetical protein 0.0282 0.0848 0.0836
Loa Loa (eye worm) hypothetical protein 0.1431 0.5198 0.5192
Loa Loa (eye worm) hypothetical protein 0.0378 0.1209 0.1198
Loa Loa (eye worm) hypothetical protein 0.0819 0.2879 0.2871
Loa Loa (eye worm) hypothetical protein 0.0819 0.2879 0.2871
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0441 0.145 0.145
Brugia malayi Kelch motif family protein 0.043 0.1408 0.1408
Echinococcus multilocularis glycine receptor subunit beta 0.0819 0.2879 0.3766
Loa Loa (eye worm) hypothetical protein 0.0949 0.3372 0.3364
Trypanosoma brucei mitotic cyclin 6 0.0088 0.0112 1
Brugia malayi EGF-like domain containing protein 0.0066 0.003 0.003
Giardia lamblia Tenascin-X 0.0066 0.003 0.1756
Loa Loa (eye worm) hypothetical protein 0.1053 0.3768 0.376
Echinococcus granulosus fibrillin 2 0.0066 0.003 0.0023
Loa Loa (eye worm) hypothetical protein 0.0088 0.0112 0.01
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0819 0.2879 0.3766
Brugia malayi Cation transporter family protein 0.0819 0.2879 0.2879
Loa Loa (eye worm) integrin alpha pat-2 0.1634 0.5968 0.5963
Loa Loa (eye worm) hypothetical protein 0.0441 0.145 0.1439
Trichomonas vaginalis cyclins, putative 0.0088 0.0112 1
Loa Loa (eye worm) ACC-1 protein 0.0819 0.2879 0.2871
Echinococcus multilocularis nAChR subunit 0.0819 0.2879 0.3766
Loa Loa (eye worm) hypothetical protein 0.0378 0.1209 0.1198
Schistosoma mansoni calcium-activated potassium channel 0.0656 0.2265 0.3777
Onchocerca volvulus 0.1431 0.5198 0.7879
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0819 0.2879 0.2879
Loa Loa (eye worm) hypothetical protein 0.0066 0.003 0.0018
Loa Loa (eye worm) hypothetical protein 0.0378 0.1209 0.1198
Loa Loa (eye worm) hypothetical protein 0.0819 0.2879 0.2871
Schistosoma mansoni nAChR subunit 0.0819 0.2879 0.4802
Entamoeba histolytica hypothetical protein 0.0441 0.145 1
Loa Loa (eye worm) hypothetical protein 0.0569 0.1933 0.1923
Schistosoma mansoni nAChR subunit 0.0819 0.2879 0.4802
Echinococcus granulosus integrin beta 2 0.2072 0.7626 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0819 0.2879 0.3766
Schistosoma mansoni neurotransmitter gated ion channel 0.0378 0.1209 0.2017
Loa Loa (eye worm) hypothetical protein 0.031 0.0955 0.0944
Echinococcus multilocularis fibrillin 2 0.0066 0.003 0.0023
Loa Loa (eye worm) hypothetical protein 0.0819 0.2879 0.2871
Giardia lamblia High cysteine protein 0.0066 0.003 0.1756
Trichomonas vaginalis cyclin B, putative 0.0088 0.0112 1
Brugia malayi hypothetical protein 0.0378 0.1209 0.1209
Brugia malayi Calcitonin receptor-like protein seb-1 0.0147 0.0335 0.0335
Giardia lamblia hypothetical protein 0.0066 0.003 0.1756
Onchocerca volvulus 0.0378 0.1209 0.1833
Loa Loa (eye worm) hypothetical protein 0.0089 0.0117 0.0105
Schistosoma mansoni integrin beta subunit 0.1642 0.5997 1
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0012 0.0021
Loa Loa (eye worm) hypothetical protein 0.0089 0.0117 0.0105
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0819 0.2879 0.2879
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.1801 0.6597 0.6593
Loa Loa (eye worm) hypothetical protein 0.1801 0.6597 0.6593
Schistosoma mansoni calcium-activated potassium channel 0.0935 0.3321 0.5539
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0819 0.2879 0.3766
Loa Loa (eye worm) hypothetical protein 0.0819 0.2879 0.2871
Loa Loa (eye worm) hypothetical protein 0.0201 0.054 0.0528
Schistosoma mansoni integrin alpha-ps 0.0542 0.1831 0.3053
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0819 0.2879 0.2879
Loa Loa (eye worm) hypothetical protein 0.043 0.1408 0.1398
Schistosoma mansoni nAChR subunit 0.0819 0.2879 0.4802
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0819 0.2879 0.2879
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0819 0.2879 0.3766
Brugia malayi excitatory GABA receptor EXP-1A 0.0819 0.2879 0.2879
Loa Loa (eye worm) hypothetical protein 0.0286 0.0861 0.0849
Loa Loa (eye worm) hypothetical protein 0.0147 0.0335 0.0323
Giardia lamblia Tenascin precursor 0.0066 0.003 0.1756
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0819 0.2879 0.2879
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0147 0.0335 0.0323
Loa Loa (eye worm) follicle stimulating hormone receptor 0.03 0.0915 0.0903
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0819 0.2879 0.4802
Loa Loa (eye worm) hypothetical protein 0.0819 0.2879 0.2871
Loa Loa (eye worm) hypothetical protein 0.0066 0.003 0.0018
Giardia lamblia Neurogenic locus Notch protein precursor 0.0066 0.003 0.1756
Echinococcus multilocularis fibrillin 1 0.0066 0.003 0.0023
Echinococcus multilocularis integrin beta 2 0.2072 0.7626 1
Brugia malayi hypothetical protein 0.0286 0.0861 0.0861
Echinococcus granulosus integrin alpha 3 0.0926 0.3288 0.4302
Loa Loa (eye worm) hypothetical protein 0.0089 0.0117 0.0105
Echinococcus granulosus fibrillin 1 0.0066 0.003 0.0023
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0819 0.2879 0.3766
Echinococcus granulosus adam 0.0066 0.003 0.0023
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0819 0.2879 0.4802
Giardia lamblia Tenascin-like 0.0066 0.003 0.1756
Loa Loa (eye worm) norepinephrine transporter 0.0089 0.0117 0.0105
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0378 0.1209 0.1572
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0819 0.2879 0.2879
Loa Loa (eye worm) hypothetical protein 0.0066 0.003 0.0018
Schistosoma mansoni neurotransmitter gated ion channel 0.0378 0.1209 0.2017
Loa Loa (eye worm) hypothetical protein 0.0441 0.145 0.1439
Brugia malayi solute carrier family 40, member 1 0.0201 0.054 0.054
Loa Loa (eye worm) hypothetical protein 0.0441 0.145 0.1439
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0012 0.0532
Echinococcus multilocularis small conductance calcium activated potassium 0.0935 0.3321 0.4346
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.1801 0.6597 0.8649
Schistosoma mansoni nAChR subunit 0.0819 0.2879 0.4802
Onchocerca volvulus 0.0819 0.2879 0.4365
Echinococcus multilocularis expressed conserved protein 0.0189 0.0494 0.0633
Brugia malayi EGF-like domain containing protein 0.0066 0.003 0.003
Onchocerca volvulus 0.0066 0.003 0.0045
Echinococcus granulosus glycine receptor subunit beta 0.0819 0.2879 0.3766
Loa Loa (eye worm) hypothetical protein 0.0245 0.0709 0.0697
Echinococcus granulosus glycine receptor subunit alpha 1 0.0819 0.2879 0.3766
Loa Loa (eye worm) integrin beta-2 0.2699 1 1
Loa Loa (eye worm) hypothetical protein 0.0378 0.1209 0.1198
Echinococcus granulosus expressed conserved protein 0.0189 0.0494 0.0633
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0819 0.2879 0.3766
Echinococcus multilocularis nAChR subunit 0.0441 0.145 0.1888
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0378 0.1209 0.1572
Schistosoma mansoni nAChR subunit 0.0378 0.1209 0.2017
Echinococcus granulosus integrin alpha ps 0.0542 0.1831 0.2389
Loa Loa (eye worm) hypothetical protein 0.0441 0.145 0.1439
Schistosoma mansoni sodium/chloride dependent transporter 0.0089 0.0117 0.0196
Trichomonas vaginalis cyclins, putative 0.0088 0.0112 1
Echinococcus multilocularis serotonin transporter 0.0089 0.0117 0.0138
Onchocerca volvulus 0.0441 0.145 0.2197
Brugia malayi follicle stimulating hormone receptor 0.03 0.0915 0.0915
Echinococcus granulosus cyclin B 0.0088 0.0112 0.0131
Loa Loa (eye worm) hypothetical protein 0.0686 0.2375 0.2366
Trichomonas vaginalis hypothetical protein 0.0066 0.003 0.2194
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0819 0.2879 0.2879
Loa Loa (eye worm) GABA receptor subunit 0.0441 0.145 0.1439
Schistosoma mansoni integrin alpha 0.1209 0.4356 0.7263
Loa Loa (eye worm) hypothetical protein 0.0088 0.0112 0.01
Loa Loa (eye worm) LGC-31 protein 0.0819 0.2879 0.2871
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0378 0.1209 0.1209
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0378 0.1209 0.1572
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0819 0.2879 0.2879
Echinococcus multilocularis neuropeptide receptor 0.0323 0.1002 0.1299
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0819 0.2879 0.2879
Onchocerca volvulus 0.0819 0.2879 0.4365
Onchocerca volvulus 0.1431 0.5198 0.7879
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.1801 0.6597 0.6597
Echinococcus granulosus glycine receptor subunit beta 0.0819 0.2879 0.3766
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0819 0.2879 0.2879
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.1431 0.5198 0.8668
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0441 0.145 0.145
Echinococcus multilocularis integrin alpha ps 0.0542 0.1831 0.2389
Schistosoma mansoni nAChR subunit 0.0378 0.1209 0.2017
Schistosoma mansoni acetylcholine receptor-related 0.0378 0.1209 0.2017
Loa Loa (eye worm) hypothetical protein 0.026 0.0763 0.0751
Trichomonas vaginalis teneurin and N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase, putative 0.0066 0.003 0.2194
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0819 0.2879 0.3766
Loa Loa (eye worm) serotonin transporter b 0.0089 0.0117 0.0105
Giardia lamblia Tenascin-37 0.0066 0.003 0.1756
Onchocerca volvulus 0.0378 0.1209 0.1833
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0686 0.2375 0.2375
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0378 0.1209 0.1209
Treponema pallidum sodium- and chloride- dependent transporter 0.0089 0.0117 0.5
Loa Loa (eye worm) hypothetical protein 0.0378 0.1209 0.1198
Onchocerca volvulus 0.0088 0.0112 0.017
Brugia malayi hypothetical protein 0.0378 0.1209 0.1209
Trichomonas vaginalis cyclins, putative 0.0088 0.0112 1
Loa Loa (eye worm) solute carrier family 6 member 4 0.0089 0.0117 0.0105
Echinococcus multilocularis integrin alpha ps 0.026 0.0763 0.0986
Loa Loa (eye worm) hypothetical protein 0.0378 0.1209 0.1198
Brugia malayi Cation transporter family protein 0.0819 0.2879 0.2879
Loa Loa (eye worm) acetylcholine receptor protein 0.0378 0.1209 0.1198
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.1431 0.5198 0.8668
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0819 0.2879 0.2871
Echinococcus granulosus integrin alpha ps 0.026 0.0763 0.0986
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0088 0.0112 1
Loa Loa (eye worm) hypothetical protein 0.0378 0.1209 0.1198
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0819 0.2879 0.2871
Loa Loa (eye worm) hypothetical protein 0.0819 0.2879 0.2871
Onchocerca volvulus 0.0441 0.145 0.2197
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0819 0.2879 0.3766
Brugia malayi Cyclin, N-terminal domain containing protein 0.0088 0.0112 0.0112

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 1.584893192 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 3.981071706 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 25.11886432 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) = 0.0316 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C9. (Class of assay: confirmatory) [Related pubchem assays: 885, 884, 410 ] ChEMBL. No reference
Potency (ADMET) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C19. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference

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

No literature references available for this target.

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