Detailed information for compound 1850825

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 294.308 | Formula: C16H14N4O2
  • H donors: 2 H acceptors: 3 LogP: 2.16 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1c(C)[nH]n(c1=O)c1ccccn1)Nc1ccccc1
  • InChi: 1S/C16H14N4O2/c1-11-14(15(21)18-12-7-3-2-4-8-12)16(22)20(19-11)13-9-5-6-10-17-13/h2-10,19H,1H3,(H,18,21)
  • InChiKey: QJEBTCLOCMTSJU-UHFFFAOYSA-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
Homo sapiens alkB, alkylation repair homolog 3 (E. coli) Starlite/ChEMBL References
Homo sapiens solute carrier family 11 (proton-coupled divalent metal ion transporter), member 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni divalent metal transporter DMT1B Get druggable targets OG5_127097 All targets in OG5_127097
Schistosoma japonicum ko:K03322 metal ion transporter, Nramp family, putative Get druggable targets OG5_127097 All targets in OG5_127097
Mycobacterium leprae DIVALENT CATION-TRANSPORT INTEGRAL MEMBRANE PROTEIN MNTH (BRAMP) (MRAMP) Get druggable targets OG5_127097 All targets in OG5_127097
Mycobacterium ulcerans manganese transport protein MntH Get druggable targets OG5_127097 All targets in OG5_127097
Candida albicans one of two probable NRAMP divalent cation transporter genes similar to S. cerevisiae SMF1 (YOL122C) cell surface manganese trans Get druggable targets OG5_127097 All targets in OG5_127097
Mycobacterium tuberculosis Divalent cation-transport integral membrane protein MntH (BRAMP) (MRAMP) Get druggable targets OG5_127097 All targets in OG5_127097
Candida albicans one of two probable NRAMP divalent cation transporter genes similar to S. cerevisiae SMF1 (YOL122C) cell surface manganese trans Get druggable targets OG5_127097 All targets in OG5_127097
Plasmodium falciparum transporter, putative Get druggable targets OG5_127097 All targets in OG5_127097
Mycobacterium leprae Conserved hypothetical protein Get druggable targets OG5_134523 All targets in OG5_134523
Plasmodium knowlesi transporter, putative Get druggable targets OG5_127097 All targets in OG5_127097
Echinococcus granulosus divalent metal transporter DMT1B Get druggable targets OG5_127097 All targets in OG5_127097
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127097 All targets in OG5_127097
Echinococcus multilocularis divalent metal transporter DMT1B Get druggable targets OG5_127097 All targets in OG5_127097
Neospora caninum hypothetical protein Get druggable targets OG5_127097 All targets in OG5_127097
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127097 All targets in OG5_127097
Plasmodium berghei transporter, putative Get druggable targets OG5_127097 All targets in OG5_127097
Candida albicans one of two probable NRAMP divalent cation transporter genes similar to S. cerevisiae SMF1 (YOL122C) cell surface manganese trans Get druggable targets OG5_127097 All targets in OG5_127097
Toxoplasma gondii divalent metal transporter, putative Get druggable targets OG5_127097 All targets in OG5_127097
Candida albicans probable NRAMP divalent cation transporter similar to S. cerevisiae SMF3 (YLR034C) vacuolar metal transporter Get druggable targets OG5_127097 All targets in OG5_127097
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_134523 All targets in OG5_134523
Plasmodium yoelii putative metal ion transporter Get druggable targets OG5_127097 All targets in OG5_127097
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_134523 All targets in OG5_134523
Candida albicans probable NRAMP divalent cation transporter similar to S. cerevisiae SMF3 (YLR034C) vacuolar metal transporter Get druggable targets OG5_127097 All targets in OG5_127097
Brugia malayi NRAMP-like transporter K11G12.4 Get druggable targets OG5_127097 All targets in OG5_127097
Schistosoma mansoni divalent metal transporter DMT1B Get druggable targets OG5_127097 All targets in OG5_127097
Candida albicans one of two probable NRAMP divalent cation transporter genes similar to S. cerevisiae SMF1 (YOL122C) cell surface manganese trans Get druggable targets OG5_127097 All targets in OG5_127097
Onchocerca volvulus Protein Malvolio homolog Get druggable targets OG5_127097 All targets in OG5_127097
Plasmodium vivax metal transporter, putative Get druggable targets OG5_127097 All targets in OG5_127097
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
Echinococcus granulosus transient receptor potential cation channel 0.0072 0.0444 1
Echinococcus multilocularis voltage dependent calcium channel 0.0072 0.0444 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0444 1
Schistosoma mansoni voltage-dependent calcium channel 0.0072 0.0444 1
Toxoplasma gondii transporter, cation channel family protein 0.0072 0.0444 1
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0072 0.0444 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0444 1
Echinococcus granulosus transient receptor potential cation channel 0.0072 0.0444 1
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0072 0.0444 1
Echinococcus multilocularis hyperpolarization activated cyclic 0.0072 0.0444 1
Echinococcus multilocularis hyperpolarization activated cyclic 0.0072 0.0444 1
Brugia malayi Transient-receptor-potential like protein 0.0072 0.0444 1
Echinococcus granulosus sodium leak channel non selective protein 0.0072 0.0444 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0444 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.023 1 0.5
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.0072 0.0444 1
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog 0.0072 0.0444 1
Schistosoma mansoni voltage-gated potassium channel 0.0072 0.0444 1
Schistosoma mansoni voltage-gated cation channel 0.0072 0.0444 1
Brugia malayi cation channel family protein 0.0072 0.0444 1
Toxoplasma gondii hypothetical protein 0.0072 0.0444 1
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0072 0.0444 1
Schistosoma mansoni voltage-gated potassium channel 0.0072 0.0444 1
Brugia malayi Voltage-gated calcium channel, P/Q-type, alpha subunit. C. elegans unc-2 ortholog 0.0072 0.0444 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0072 0.0444 1
Echinococcus granulosus transient receptor potential cation channel 0.0072 0.0444 1
Echinococcus multilocularis potassium voltage gated channel protein 0.0072 0.0444 1
Schistosoma mansoni calcium channel voltage-dependent p/q type alpha 1a-related 0.0072 0.0444 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0072 0.0444 1
Brugia malayi Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit 0.0072 0.0444 1
Schistosoma mansoni voltage-gated potassium channel 0.0072 0.0444 1
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0072 0.0444 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0444 1
Echinococcus granulosus voltage gated hydrogen channel 1 0.0072 0.0444 1
Brugia malayi ion channel NompC 0.0072 0.0444 1
Echinococcus granulosus potassium large conductance calcium activated 0.0072 0.0444 1
Schistosoma mansoni transient receptor potential channel 0.0072 0.0444 1
Schistosoma mansoni transient receptor potential channel 4 0.0072 0.0444 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0072 0.0444 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0444 1
Brugia malayi hypothetical protein 0.0072 0.0444 1
Echinococcus multilocularis transient receptor potential cation channel 0.0072 0.0444 1
Echinococcus granulosus short transient receptor potential channel 6 0.0072 0.0444 1
Schistosoma mansoni 60S ribosomal protein L21 0.0072 0.0444 1
Echinococcus multilocularis voltage dependent calcium channel 0.0072 0.0444 1
Echinococcus multilocularis voltage gated potassium channel 0.0072 0.0444 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0444 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0444 1
Schistosoma mansoni voltage-gated potassium channel 0.0072 0.0444 1
Echinococcus granulosus transient receptor potential gamma protein 0.0072 0.0444 1
Schistosoma mansoni voltage-gated potassium channel 0.0072 0.0444 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0444 1
Echinococcus granulosus voltage gated potassium channel 0.0072 0.0444 1
Echinococcus granulosus transient receptor potential cation channel 0.0072 0.0444 1
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0072 0.0444 1
Schistosoma mansoni transient receptor potential channel 0.0072 0.0444 1
Loa Loa (eye worm) ryanodine receptor 0.0072 0.0444 1
Echinococcus multilocularis two pore calcium channel protein 1 0.0072 0.0444 1
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0072 0.0444 1
Echinococcus granulosus voltage dependent calcium channel 0.0072 0.0444 1
Echinococcus granulosus transient receptor potential cation channel 0.0072 0.0444 1
Loa Loa (eye worm) calcium channel 0.0072 0.0444 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0072 0.0444 1
Brugia malayi Cyclic-nucleotide gated cation channel 0.0072 0.0444 1
Echinococcus multilocularis potassium voltage gated channel protein 0.0072 0.0444 1
Echinococcus multilocularis transient receptor potential cation channel 0.0072 0.0444 1
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0072 0.0444 1
Schistosoma mansoni voltage-gated potassium channel 0.0072 0.0444 1
Echinococcus granulosus potassium voltage gated channel protein 0.0072 0.0444 1
Echinococcus multilocularis calcium activated potassium channel 0.0072 0.0444 1
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0072 0.0444 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0444 1
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0072 0.0444 1
Toxoplasma gondii transporter, cation channel family protein 0.0072 0.0444 1
Loa Loa (eye worm) voltage-gated calcium channel 0.0072 0.0444 1
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0072 0.0444 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0444 1
Schistosoma mansoni voltage-gated potassium channel 0.0072 0.0444 1
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0072 0.0444 1
Schistosoma mansoni calcium-activated potassium channel 0.0072 0.0444 1
Echinococcus granulosus voltage gated potassium channel 0.0072 0.0444 1
Echinococcus granulosus short transient receptor potential channel 6 0.0072 0.0444 1
Schistosoma mansoni hypothetical protein 0.0072 0.0444 1
Brugia malayi Ryanodine Receptor TM 4-6 family protein 0.0072 0.0444 1
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0072 0.0444 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0072 0.0444 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0444 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0444 1
Echinococcus multilocularis potassium large conductance calcium activated 0.0072 0.0444 1
Schistosoma mansoni voltage-gated ion channel 0.0072 0.0444 1
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0072 0.0444 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0444 1
Schistosoma mansoni vesicular amine transporter 0.0072 0.0444 1
Schistosoma mansoni voltage-gated potassium channel 0.0072 0.0444 1
Echinococcus granulosus voltage dependent calcium channel 0.0072 0.0444 1
Schistosoma mansoni voltage-gated potassium channel 0.0072 0.0444 1
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0072 0.0444 1
Brugia malayi Voltage-gated calcium channel, alpha subunit 0.0072 0.0444 1
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0072 0.0444 1
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0072 0.0444 1
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0072 0.0444 1
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.0072 0.0444 1
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0072 0.0444 0.5
Echinococcus multilocularis shaker cognate 0.0072 0.0444 1
Echinococcus granulosus potassium voltage gated channel protein 0.0072 0.0444 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0072 0.0444 0.5
Echinococcus multilocularis transient receptor potential cation channel 0.0072 0.0444 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0444 1
Echinococcus granulosus potassium voltage gated channel protein 0.0072 0.0444 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0072 0.0444 1
Echinococcus granulosus transient receptor potential cation channel 0.0072 0.0444 1
Brugia malayi olfactory channel protein osm-9 0.0072 0.0444 1
Echinococcus granulosus potassium voltage gated channel subfamily C 0.0072 0.0444 1
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0072 0.0444 1
Loa Loa (eye worm) voltage-dependent calcium channel 0.0072 0.0444 1
Toxoplasma gondii transporter, cation channel family protein 0.0072 0.0444 1
Plasmodium falciparum transporter, putative 0.0065 0 0.5
Toxoplasma gondii hypothetical protein 0.0072 0.0444 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0072 0.0444 1
Echinococcus granulosus ryanodine receptor 44f 0.0072 0.0444 1
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0072 0.0444 1
Echinococcus multilocularis two pore calcium channel protein 2 0.0072 0.0444 1
Echinococcus multilocularis potassium voltage gated channel protein 0.0072 0.0444 1
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0072 0.0444 1
Echinococcus granulosus TRP transient receptor potential channel 0.0072 0.0444 1
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0072 0.0444 1
Schistosoma mansoni voltage-gated potassium channel 0.0072 0.0444 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0444 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0072 0.0444 1
Schistosoma mansoni voltage-gated potassium channel 0.0072 0.0444 1
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0072 0.0444 1
Echinococcus granulosus potassium voltage gated channel protein 0.0072 0.0444 1
Echinococcus multilocularis transfer RNA-Gly 0.0072 0.0444 1
Schistosoma mansoni voltage-gated potassium channel 0.0072 0.0444 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0444 1
Echinococcus multilocularis ryanodine receptor 44f 0.0072 0.0444 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0072 0.0444 1
Schistosoma mansoni voltage-gated potassium channel 0.0072 0.0444 1
Echinococcus multilocularis short transient receptor potential channel 6 0.0072 0.0444 1
Echinococcus multilocularis potassium voltage gated channel subfamily C 0.0072 0.0444 1
Echinococcus granulosus potassium voltage gated channel subfamily A 0.0072 0.0444 1
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0072 0.0444 1
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0072 0.0444 1
Echinococcus granulosus two pore calcium channel protein 2 0.0072 0.0444 1
Echinococcus multilocularis conserved hypothetical protein 0.0072 0.0444 1
Echinococcus multilocularis sodium leak channel non selective protein 0.0072 0.0444 1
Echinococcus multilocularis transient receptor potential gamma protein 0.0072 0.0444 1
Echinococcus granulosus calcium activated potassium channel 0.0072 0.0444 1
Echinococcus multilocularis short transient receptor potential channel 6 0.0072 0.0444 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0072 0.0444 1
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0072 0.0444 1
Onchocerca volvulus 0.0072 0.0444 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0444 1
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0072 0.0444 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0072 0.0444 1
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0072 0.0444 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0072 0.0444 1
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit 0.0072 0.0444 1
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0072 0.0444 1
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0072 0.0444 1
Echinococcus granulosus hyperpolarization activated cyclic 0.0072 0.0444 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0072 0.0444 0.5
Echinococcus granulosus two pore calcium channel protein 1 0.0072 0.0444 1
Schistosoma mansoni ryanodine receptor related 0.0072 0.0444 1
Brugia malayi Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit. C. elegans exp-2 ortholog 0.0072 0.0444 1
Echinococcus granulosus hyperpolarization activated cyclic 0.0072 0.0444 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0444 1
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0072 0.0444 0.5
Plasmodium vivax metal transporter, putative 0.0065 0 0.5
Loa Loa (eye worm) voltage-gated potassium channel 0.0072 0.0444 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0072 0.0444 1
Loa Loa (eye worm) ion channel NompC 0.0072 0.0444 1
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit 0.0072 0.0444 1
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0072 0.0444 1
Schistosoma mansoni voltage-gated potassium channel 0.0072 0.0444 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0072 0.0444 1
Leishmania major hypothetical protein, conserved 0.0072 0.0444 0.5
Schistosoma mansoni voltage-gated potassium channel KCNQ 0.0072 0.0444 1
Mycobacterium ulcerans hypothetical protein 0.023 1 1
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0072 0.0444 1
Echinococcus granulosus potassium channel KvQLT family member kqt 1 0.0072 0.0444 1
Echinococcus multilocularis voltage gated hydrogen channel 1 0.0072 0.0444 1
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit 0.0072 0.0444 1
Schistosoma mansoni voltage-gated potassium channel 0.0072 0.0444 1
Brugia malayi cation channel family protein 0.0072 0.0444 1
Schistosoma mansoni voltage-gated potassium channel 0.0072 0.0444 1
Schistosoma mansoni two-pore calcium channel 0.0072 0.0444 1
Echinococcus granulosus sodium channel protein 0.0072 0.0444 1
Brugia malayi Large-conductance calcium-activated potassium channel Slo-1 (KCNMA) alpha subunit. C. elegans slo-1 ortholog 0.0072 0.0444 1
Echinococcus granulosus Potassium voltage gated channel protein Shaw 0.0072 0.0444 1
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0072 0.0444 0.5
Schistosoma mansoni transient receptor potential channel 0.0072 0.0444 1
Schistosoma mansoni voltage-gated potassium channel 0.0072 0.0444 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0444 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0444 1
Echinococcus multilocularis transient receptor potential cation channel 0.0072 0.0444 1
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0072 0.0444 1
Echinococcus multilocularis potassium voltage gated channel protein 0.0072 0.0444 1
Echinococcus multilocularis transient receptor potential cation channel 0.0072 0.0444 1
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0072 0.0444 1
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0072 0.0444 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0072 0.0444 1
Echinococcus multilocularis sodium channel protein 0.0072 0.0444 1
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit. C. elegans egl-36 ortholog 0.0072 0.0444 1
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0072 0.0444 1
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0072 0.0444 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0072 0.0444 1
Echinococcus granulosus potassium voltage gated channel protein 0.0072 0.0444 1
Echinococcus multilocularis voltage gated potassium channel 0.0072 0.0444 1
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0072 0.0444 1
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0072 0.0444 1
Echinococcus multilocularis transient receptor potential cation channel 0.0072 0.0444 1
Brugia malayi voltage-dependent calcium channel 0.0072 0.0444 1
Echinococcus granulosus shaker cognate 0.0072 0.0444 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0444 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0444 1
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0072 0.0444 1
Loa Loa (eye worm) voltage-gated potassium channel 0.0072 0.0444 1
Echinococcus granulosus hypothetical protein 0.0072 0.0444 1
Leishmania major hypothetical protein, unknown function 0.0072 0.0444 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.64 uM Inhibition of human DMT1 expressed in CHO cells assessed as blockage of ferrous influx after 20 mins by calcein fluorescence quenching method ChEMBL. 22154351
IC50 (binding) = 1.7 uM Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysis ChEMBL. 24461353
Inhibition (ADMET) = 8 % Inhibition of human recombinant CYP3A4 at 10 uM ChEMBL. 22154351
Inhibition (functional) = 25 % Antiproliferative activity against human DU145 cells at 10 uM after 48 hrs by 2-D dish-based WST-assay ChEMBL. 24461353
permeability (ADMET) = 10.4 10'-6 cm/s Permeability from apical to basolateral side in human Caco2 cells ChEMBL. 22154351
permeability (ADMET) = 19.6 10'-6 cm/s Permeability from basolateral to apical side in human Caco2 cells ChEMBL. 22154351

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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