Detailed information for compound 1337325

Basic information

Technical information
  • TDR Targets ID: 1337325
  • Name: NCGC00142320-01
  • MW: 431.439 | Formula: C21H25N3O7
  • H donors: 0 H acceptors: 6 LogP: -0.29 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)CN1C(=O)N2[C@@](C1=O)(C)[C@H]1C(=C(C2=O)CC)CC[C@@H]2[C@H]1C(=O)N(C2=O)CC
  • InChi: 1S/C21H25N3O7/c1-5-10-11-7-8-12-14(18(28)22(6-2)16(12)26)15(11)21(3)19(29)23(9-13(25)31-4)20(30)24(21)17(10)27/h12,14-15H,5-9H2,1-4H3/t12-,14-,15+,21+/m1/s1
  • InChiKey: QJJAORRSKDSVDO-DNFSTRJWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • UPCMLD11ADMT004210F1:001

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical 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
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major 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
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana mitogen-activated 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 braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC MAPK 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
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative 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
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 aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
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
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 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
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 mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, 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
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 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
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative 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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
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
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
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 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) ryanodine receptor 0.0029 0.1032 0.226
Echinococcus granulosus transient receptor potential cation channel 0.0029 0.1032 0.0642
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0029 0.1032 0.0642
Mycobacterium leprae conserved hypothetical protein 0.0023 0.0723 0.5
Echinococcus multilocularis transient receptor potential cation channel 0.0029 0.1032 0.0642
Brugia malayi Voltage-gated calcium channel, P/Q-type, alpha subunit. C. elegans unc-2 ortholog 0.0029 0.1032 0.1826
Brugia malayi cation channel family protein 0.0029 0.1032 0.1826
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.3561 1
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0187 1 1
Echinococcus multilocularis hyperpolarization activated cyclic 0.0029 0.1032 0.0642
Loa Loa (eye worm) hypothetical protein 0.0029 0.1032 0.226
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0029 0.1032 0.1826
Loa Loa (eye worm) hypothetical protein 0.0018 0.0425 0.093
Brugia malayi ion channel NompC 0.0029 0.1032 0.1826
Schistosoma mansoni voltage-gated ion channel 0.0029 0.1032 0.0642
Trypanosoma brucei Sterol methyltransferase, putative 0.0187 1 1
Echinococcus multilocularis potassium large conductance calcium activated 0.0029 0.1032 0.0642
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.2892 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0018 0.0425 0.0422
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0018 0.0425 0.0422
Schistosoma mansoni voltage-gated potassium channel 0.0029 0.1032 0.0642
Echinococcus multilocularis short transient receptor potential channel 6 0.0031 0.1155 0.0772
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0187 1 1
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0018 0.0425 0.093
Brugia malayi voltage-dependent calcium channel 0.0029 0.1032 0.1826
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0029 0.1032 0.0642
Loa Loa (eye worm) hypothetical protein 0.0018 0.0425 0.093
Brugia malayi Cation transporter family protein 0.0018 0.0425 0.0422
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0018 0.0425 0.093
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0187 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.3561 0.3317
Echinococcus multilocularis geminin 0.0185 0.988 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.1032 0.226
Schistosoma mansoni voltage-gated potassium channel 0.0029 0.1032 0.0642
Entamoeba histolytica hypothetical protein 0.0023 0.0723 0.5
Echinococcus multilocularis hyperpolarization activated cyclic 0.0029 0.1032 0.0642
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.2892 0.2715
Loa Loa (eye worm) hypothetical protein 0.0018 0.0425 0.093
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0018 0.0425 0.093
Onchocerca volvulus 0.0029 0.1032 0.1649
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0018 0.0425 0.0422
Echinococcus granulosus short transient receptor potential channel 6 0.0029 0.1032 0.0642
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit. C. elegans egl-36 ortholog 0.0029 0.1032 0.1826
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0029 0.1032 0.0642
Schistosoma mansoni voltage-gated potassium channel 0.0029 0.1032 0.0642
Trypanosoma brucei protein kinase, putative 0.0062 0.2892 0.2715
Schistosoma mansoni voltage-gated potassium channel 0.0029 0.1032 0.0642
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.2892 0.2715
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0243 0.0531
Echinococcus multilocularis sodium leak channel non selective protein 0.0029 0.1032 0.0642
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.0029 0.1032 0.1649
Schistosoma mansoni hypothetical protein 0.0185 0.988 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.2892 0.2715
Brugia malayi Ryanodine Receptor TM 4-6 family protein 0.0029 0.1032 0.1826
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0018 0.0425 0.0422
Echinococcus multilocularis short transient receptor potential channel 6 0.0029 0.1032 0.0642
Loa Loa (eye worm) hypothetical protein 0.0018 0.0425 0.093
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0029 0.1032 0.0642
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0029 0.1032 0.0809
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0097 0.4928 0.4802
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0029 0.1032 0.0642
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.2892 0.2609
Schistosoma mansoni ryanodine receptor related 0.0029 0.1032 0.0642
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0018 0.0425 0.0422
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.3561 0.3401
Schistosoma mansoni voltage-gated cation channel 0.0029 0.1032 0.0642
Brugia malayi Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit 0.0029 0.1032 0.1826
Echinococcus multilocularis two pore calcium channel protein 2 0.0029 0.1032 0.0642
Loa Loa (eye worm) LGC-31 protein 0.0018 0.0425 0.093
Echinococcus granulosus shaker cognate 0.0029 0.1032 0.0642
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0029 0.1032 0.0642
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0029 0.1032 0.1826
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0029 0.1032 0.0642
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0083 0.4107 0.3894
Echinococcus multilocularis voltage gated potassium channel 0.0029 0.1032 0.0642
Echinococcus granulosus voltage dependent calcium channel 0.0029 0.1032 0.0642
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0018 0.0425 0.0422
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0018 0.0425 0.0422
Schistosoma mansoni 60S ribosomal protein L21 0.0029 0.1032 0.0642
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0029 0.1032 0.0642
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0029 0.1032 0.0642
Loa Loa (eye worm) hypothetical protein 0.0029 0.1032 0.226
Echinococcus granulosus transient receptor potential cation channel 0.0029 0.1032 0.0642
Echinococcus granulosus Potassium voltage gated channel protein Shaw 0.0029 0.1032 0.0642
Schistosoma mansoni voltage-gated potassium channel 0.0029 0.1032 0.0642
Echinococcus granulosus potassium voltage gated channel protein 0.0029 0.1032 0.0642
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.2892 1
Echinococcus multilocularis potassium voltage gated channel subfamily C 0.0029 0.1032 0.0642
Echinococcus multilocularis conserved hypothetical protein 0.0029 0.1032 0.0642
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit 0.0029 0.1032 0.1826
Loa Loa (eye worm) hypothetical protein 0.0029 0.1032 0.226
Echinococcus granulosus potassium voltage gated channel protein 0.0029 0.1032 0.0642
Schistosoma mansoni voltage-gated potassium channel 0.0029 0.1032 0.0642
Echinococcus granulosus hyperpolarization activated cyclic 0.0029 0.1032 0.0642
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0029 0.1032 0.0642
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog 0.0029 0.1032 0.1826
Loa Loa (eye worm) hypothetical protein 0.0018 0.0425 0.093
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0723 0.0493
Echinococcus granulosus short transient receptor potential channel 6 0.0031 0.1155 0.0772
Echinococcus granulosus transient receptor potential gamma protein 0.0029 0.1032 0.0642
Echinococcus multilocularis transient receptor potential gamma protein 0.0029 0.1032 0.0642
Brugia malayi S-adenosyl-methionine cycloartenol-C24-methyltransferase 0.0091 0.4566 1
Echinococcus multilocularis voltage gated hydrogen channel 1 0.0029 0.1032 0.0642
Echinococcus multilocularis voltage dependent calcium channel 0.0029 0.1032 0.0642
Echinococcus multilocularis transfer RNA-Gly 0.0029 0.1032 0.0642
Schistosoma mansoni voltage-gated potassium channel KCNQ 0.0029 0.1032 0.0642
Schistosoma mansoni calcium channel voltage-dependent p/q type alpha 1a-related 0.0029 0.1032 0.0642
Loa Loa (eye worm) ACC-1 protein 0.0018 0.0425 0.093
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0029 0.1032 0.0642
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0029 0.1032 0.0642
Brugia malayi excitatory GABA receptor EXP-1A 0.0018 0.0425 0.0422
Schistosoma mansoni voltage-gated potassium channel 0.0029 0.1032 0.0642
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0023 0.0723 0.1449
Echinococcus multilocularis transient receptor potential cation channel 0.0029 0.1032 0.0642
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0029 0.1032 0.0642
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit 0.0029 0.1032 0.1826
Loa Loa (eye worm) hypothetical protein 0.0018 0.0425 0.093
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0018 0.0425 0.0422
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.2892 0.2715
Schistosoma mansoni voltage-gated potassium channel 0.0029 0.1032 0.0642
Loa Loa (eye worm) hypothetical protein 0.0029 0.1032 0.226
Schistosoma mansoni voltage-gated potassium channel 0.0029 0.1032 0.0642
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.2892 0.2609
Loa Loa (eye worm) hypothetical protein 0.0091 0.4566 1
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.2892 0.2609
Toxoplasma gondii transporter, cation channel family protein 0.0029 0.1032 0.1087
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0018 0.0425 0.093
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0029 0.1032 0.0642
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0029 0.1032 0.1826
Echinococcus granulosus hypothetical protein 0.0029 0.1032 0.0642
Loa Loa (eye worm) voltage-dependent calcium channel 0.0029 0.1032 0.226
Brugia malayi Cation transporter family protein 0.0018 0.0425 0.0422
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0723 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0029 0.1032 0.1087
Echinococcus granulosus sodium leak channel non selective protein 0.0029 0.1032 0.0642
Loa Loa (eye worm) calcium channel 0.0029 0.1032 0.226
Brugia malayi Voltage-gated calcium channel, alpha subunit 0.0029 0.1032 0.1826
Echinococcus multilocularis transient receptor potential cation channel 0.0031 0.1155 0.0772
Schistosoma mansoni voltage-gated potassium channel 0.0029 0.1032 0.0642
Schistosoma mansoni voltage-gated potassium channel 0.0029 0.1032 0.0642
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0029 0.1032 0.0642
Loa Loa (eye worm) hypothetical protein 0.0029 0.1032 0.226
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0029 0.1032 0.1826
Schistosoma mansoni voltage-gated potassium channel 0.0029 0.1032 0.0642
Leishmania major sterol 24-c-methyltransferase, putative 0.0187 1 1
Echinococcus multilocularis sodium channel protein 0.0029 0.1032 0.0642
Echinococcus granulosus ryanodine receptor 44f 0.0029 0.1032 0.0642
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.2892 1
Echinococcus granulosus two pore calcium channel protein 2 0.0029 0.1032 0.0642
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0018 0.0425 0.0422
Toxoplasma gondii transporter, cation channel family protein 0.0029 0.1032 0.1087
Schistosoma mansoni transient receptor potential channel 0.0029 0.1032 0.0642
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0029 0.1032 0.0642
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0029 0.1032 0.0642
Loa Loa (eye worm) hypothetical protein 0.0018 0.0425 0.093
Echinococcus multilocularis voltage gated potassium channel 0.0029 0.1032 0.0642
Echinococcus multilocularis transient receptor potential cation channel 0.0031 0.1155 0.0772
Loa Loa (eye worm) hypothetical protein 0.0029 0.1032 0.226
Echinococcus granulosus potassium voltage gated channel protein 0.0029 0.1032 0.0642
Echinococcus multilocularis potassium voltage gated channel protein 0.0029 0.1032 0.0642
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0029 0.1032 0.0642
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0029 0.1032 0.0642
Loa Loa (eye worm) hypothetical protein 0.0029 0.1032 0.226
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.2892 0.6334
Echinococcus granulosus voltage gated hydrogen channel 1 0.0029 0.1032 0.0642
Loa Loa (eye worm) hypothetical protein 0.0029 0.1032 0.226
Echinococcus granulosus voltage gated potassium channel 0.0029 0.1032 0.0642
Loa Loa (eye worm) hypothetical protein 0.0018 0.0425 0.093
Loa Loa (eye worm) hypothetical protein 0.0018 0.0425 0.093
Schistosoma mansoni voltage-gated potassium channel 0.0029 0.1032 0.0642
Loa Loa (eye worm) voltage-gated potassium channel 0.0029 0.1032 0.226
Loa Loa (eye worm) hypothetical protein 0.0029 0.1032 0.226
Schistosoma mansoni transient receptor potential channel 0.0029 0.1032 0.0642
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.3561 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0018 0.0425 0.0422
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0018 0.0425 0.0422
Echinococcus granulosus potassium voltage gated channel subfamily A 0.0029 0.1032 0.0642
Schistosoma mansoni voltage-gated potassium channel 0.0029 0.1032 0.0642
Loa Loa (eye worm) hypothetical protein 0.0018 0.0425 0.093
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0029 0.1032 0.0642
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0029 0.1032 0.0642
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0.0723 0.5
Brugia malayi MAP kinase sur-1 0.0062 0.2892 0.6128
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0018 0.0425 0.0422
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0029 0.1032 0.0642
Echinococcus granulosus voltage dependent calcium channel 0.0029 0.1032 0.0642
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0029 0.1032 0.0642
Loa Loa (eye worm) hypothetical protein 0.0029 0.1032 0.226
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0029 0.1032 0.0809
Loa Loa (eye worm) hypothetical protein 0.0018 0.0425 0.093
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0029 0.1032 0.0642
Loa Loa (eye worm) hypothetical protein 0.0029 0.1032 0.226
Echinococcus multilocularis potassium voltage gated channel protein 0.0029 0.1032 0.0642
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0029 0.1032 0.0642
Loa Loa (eye worm) hypothetical protein 0.0018 0.0425 0.093
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.3561 1
Onchocerca volvulus 0.0083 0.4107 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.1032 0.226
Schistosoma mansoni hypothetical protein 0.0029 0.1032 0.0642
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0029 0.1032 0.0642
Leishmania major hypothetical protein, conserved 0.0029 0.1032 0.0809
Echinococcus granulosus transient receptor potential cation channel 0.0029 0.1032 0.0642
Echinococcus granulosus transient receptor potential cation channel 0.0029 0.1032 0.0642
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.3561 0.3317
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0029 0.1032 0.0642
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.3561 1
Schistosoma mansoni voltage-gated potassium channel 0.0029 0.1032 0.0642
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.2892 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.1032 0.226
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0018 0.0425 0.0422
Loa Loa (eye worm) ion channel NompC 0.0029 0.1032 0.226
Loa Loa (eye worm) hypothetical protein 0.0029 0.1032 0.226
Loa Loa (eye worm) hypothetical protein 0.0018 0.0425 0.093
Loa Loa (eye worm) hypothetical protein 0.0029 0.1032 0.226
Echinococcus multilocularis ryanodine receptor 44f 0.0029 0.1032 0.0642
Schistosoma mansoni calcium-activated potassium channel 0.0029 0.1032 0.0642
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0029 0.1032 0.226
Schistosoma mansoni vesicular amine transporter 0.0029 0.1032 0.0642
Echinococcus multilocularis transient receptor potential cation channel 0.0029 0.1032 0.0642
Loa Loa (eye worm) hypothetical protein 0.0083 0.4107 0.8995
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.3561 0.3317
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0029 0.1032 0.0642
Schistosoma mansoni hypothetical protein 0.0185 0.988 1
Loa Loa (eye worm) voltage-gated calcium channel 0.0029 0.1032 0.226
Echinococcus granulosus potassium voltage gated channel protein 0.0029 0.1032 0.0642
Loa Loa (eye worm) hypothetical protein 0.0018 0.0425 0.093
Loa Loa (eye worm) hypothetical protein 0.0018 0.0425 0.093
Loa Loa (eye worm) hypothetical protein 0.0029 0.1032 0.226
Echinococcus multilocularis calcium activated potassium channel 0.0029 0.1063 0.0675
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0029 0.1032 0.0809
Loa Loa (eye worm) hypothetical protein 0.0029 0.1032 0.226
Toxoplasma gondii transporter, cation channel family protein 0.0029 0.1032 0.1087
Schistosoma mansoni voltage-dependent calcium channel 0.0029 0.1032 0.0642
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0023 0.0723 0.1449
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0023 0.0723 0.5
Brugia malayi Transient-receptor-potential like protein 0.0029 0.1032 0.1826
Toxoplasma gondii hypothetical protein 0.0029 0.1032 0.1087
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0243 0.0531
Trypanosoma cruzi sterol 24-c-methyltransferase, putative 0.0187 1 1
Echinococcus granulosus transient receptor potential cation channel 0.0031 0.1155 0.0772
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0029 0.1032 0.0642
Loa Loa (eye worm) hypothetical protein 0.0029 0.1032 0.226
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0029 0.1032 0.0642
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0029 0.1032 0.0642
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0029 0.1032 0.0642
Echinococcus granulosus potassium channel KvQLT family member kqt 1 0.0029 0.1032 0.0642
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.0723 0.5
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0723 0.0493
Echinococcus granulosus sodium channel protein 0.0029 0.1032 0.0642
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0029 0.1032 0.0642
Echinococcus multilocularis transient receptor potential cation channel 0.0029 0.1032 0.0642
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0083 0.4107 0.8939
Schistosoma mansoni voltage-gated potassium channel 0.0029 0.1032 0.0642
Schistosoma mansoni voltage-gated potassium channel 0.0029 0.1032 0.0642
Loa Loa (eye worm) hypothetical protein 0.0018 0.0425 0.093
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0029 0.1032 0.0642
Echinococcus multilocularis potassium voltage gated channel protein 0.0029 0.1032 0.0642
Echinococcus granulosus hyperpolarization activated cyclic 0.0029 0.1032 0.0642
Brugia malayi cation channel family protein 0.0029 0.1032 0.1826
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0029 0.1032 0.1087
Echinococcus granulosus L aminoadipate semialdehyde 0.0083 0.4107 0.3894
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0029 0.1032 0.0809
Echinococcus multilocularis L aminoadipate semialdehyde 0.0083 0.4107 0.3894
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit 0.0029 0.1032 0.1826
Schistosoma mansoni two-pore calcium channel 0.0029 0.1032 0.0642
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.2892 0.7641
Echinococcus granulosus calcium activated potassium channel 0.0029 0.1063 0.0675
Brugia malayi Cation transporter family protein 0.0018 0.0425 0.0422
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0029 0.1032 0.0809
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0029 0.1032 0.0642
Echinococcus granulosus TRP transient receptor potential channel 0.0029 0.1032 0.0642
Brugia malayi olfactory channel protein osm-9 0.0031 0.1155 0.2111
Schistosoma mansoni voltage-gated potassium channel 0.0029 0.1032 0.0642
Loa Loa (eye worm) hypothetical protein 0.0018 0.0425 0.093
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0029 0.1032 0.0642
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0018 0.0425 0.093
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0723 0.5
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.2892 0.2715
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0029 0.1032 0.0642
Trypanosoma brucei sterol 24-c-methyltransferase, putative 0.0187 1 1
Schistosoma mansoni transient receptor potential channel 4 0.0029 0.1032 0.0642
Loa Loa (eye worm) CYP4Cod1 0.0015 0.0243 0.0531
Brugia malayi Large-conductance calcium-activated potassium channel Slo-1 (KCNMA) alpha subunit. C. elegans slo-1 ortholog 0.0029 0.1032 0.1826
Loa Loa (eye worm) ACC-1 protein 0.0018 0.0425 0.093
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.3561 0.3317
Toxoplasma gondii hypothetical protein 0.0029 0.1032 0.1087
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.0029 0.1032 0.1649
Echinococcus granulosus transient receptor potential cation channel 0.0029 0.1032 0.0642
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0018 0.0425 0.0422
Echinococcus granulosus potassium large conductance calcium activated 0.0029 0.1032 0.0642
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0029 0.1032 0.226
Schistosoma mansoni transient receptor potential channel 0.0031 0.1155 0.0772
Echinococcus multilocularis voltage dependent calcium channel 0.0029 0.1032 0.0642
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.2892 0.2715
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0018 0.0425 0.0422
Brugia malayi Cyclic-nucleotide gated cation channel 0.0029 0.1032 0.1826
Echinococcus granulosus two pore calcium channel protein 1 0.0029 0.1032 0.0642
Echinococcus granulosus geminin 0.0185 0.988 1
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0029 0.1032 0.0642
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0029 0.1032 0.0642
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.2892 1
Leishmania major hypothetical protein, unknown function 0.0029 0.1032 0.0809
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0029 0.1032 0.0642
Echinococcus granulosus potassium voltage gated channel subfamily C 0.0029 0.1032 0.0642
Echinococcus granulosus voltage gated potassium channel 0.0029 0.1032 0.0642
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.3561 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0425 0.093
Loa Loa (eye worm) hypothetical protein 0.0029 0.1032 0.226
Brugia malayi Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit. C. elegans exp-2 ortholog 0.0029 0.1032 0.1826
Loa Loa (eye worm) voltage-gated potassium channel 0.0029 0.1032 0.226
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0018 0.0425 0.093
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0018 0.0425 0.0422
Echinococcus multilocularis potassium voltage gated channel protein 0.0029 0.1032 0.0642
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0029 0.1032 0.0642
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0029 0.1032 0.226
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.2892 0.2609
Brugia malayi hypothetical protein 0.0029 0.1032 0.1826
Echinococcus granulosus potassium voltage gated channel protein 0.0029 0.1032 0.0642
Echinococcus multilocularis shaker cognate 0.0029 0.1032 0.0642
Echinococcus multilocularis two pore calcium channel protein 1 0.0029 0.1032 0.0642
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.2892 0.2715
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0029 0.1032 0.0642
Loa Loa (eye worm) hypothetical protein 0.0031 0.1155 0.253
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0029 0.1032 0.0642
Loa Loa (eye worm) hypothetical protein 0.0018 0.0425 0.093
Loa Loa (eye worm) hypothetical protein 0.0029 0.1032 0.226
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.2892 0.2609

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0794 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 (ADMET) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 7.9433 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) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] 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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