Detailed information for compound 869518

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 361.394 | Formula: C21H19N3O3
  • H donors: 1 H acceptors: 2 LogP: 2.53 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)NC(=O)CCn1c(=O)c2cccn2c2c1cccc2
  • InChi: 1S/C21H19N3O3/c1-27-16-7-4-6-15(14-16)22-20(25)11-13-24-18-9-3-2-8-17(18)23-12-5-10-19(23)21(24)26/h2-10,12,14H,11,13H2,1H3,(H,22,25)
  • InChiKey: AOTPHDHYGCNWBO-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Schistosoma mansoni sodium/chloride dependent transporter 0.0386 0.1332 0.1332
Echinococcus multilocularis sodium and chloride dependent glycine 0.0386 0.1332 0.1233
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0386 0.1332 0.1332
Echinococcus granulosus sodium and chloride dependent glycine 0.0386 0.1332 0.1233
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0386 0.1332 0.1233
Loa Loa (eye worm) hypothetical protein 0.0176 0.0369 0.026
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0569 0.2171 0.6991
Trichomonas vaginalis hypothetical protein 0.0762 0.3057 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0386 0.1332 0.1332
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.012 0.0112 0.0112
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0386 0.1332 0.1233
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0176 0.0369 0.026
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0762 0.3057 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0386 0.1332 0.1332
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.012 0.0112 0.0112
Schistosoma mansoni voltage-gated potassium channel 0.0665 0.2612 0.2612
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0386 0.1332 0.1332
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.012 0.0112 0.0112
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0386 0.1332 0.1233
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0386 0.1332 0.1233
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0386 0.1332 0.1332
Loa Loa (eye worm) norepinephrine transporter 0.2273 1 1
Echinococcus multilocularis serotonin transporter 0.2273 1 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0386 0.1332 0.1332
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0762 0.3057 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0176 0.0369 0.0369
Loa Loa (eye worm) hypothetical protein 0.2273 1 1
Loa Loa (eye worm) hypothetical protein 0.0386 0.1332 0.1233
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0176 0.0369 0.026
Loa Loa (eye worm) hypothetical protein 0.0386 0.1332 0.1233
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0176 0.0369 0.026
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0762 0.3057 1
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0762 0.3057 0.5
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0609 0.2355 0.2268
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0386 0.1332 0.1332
Schistosoma mansoni voltage-gated potassium channel 0.0176 0.0369 0.0369
Loa Loa (eye worm) hypothetical protein 0.0386 0.1332 0.1233
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0386 0.1332 0.1233
Brugia malayi hypothetical protein 0.0386 0.1332 0.1233
Onchocerca volvulus 0.2273 1 1
Loa Loa (eye worm) hypothetical protein 0.0386 0.1332 0.1233
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0762 0.3057 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0386 0.1332 0.1233
Echinococcus granulosus sodium and chloride dependent glycine 0.0386 0.1332 0.1233
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0762 0.3057 0.5
Loa Loa (eye worm) solute carrier family 6 member 4 0.2273 1 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.2273 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0665 0.2612 0.2612
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0609 0.2355 0.2268
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0386 0.1332 0.1233
Echinococcus multilocularis voltage gated potassium channel 0.0176 0.0369 0.026
Loa Loa (eye worm) hypothetical protein 0.2273 1 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0609 0.2355 0.2268
Loa Loa (eye worm) hypothetical protein 0.0386 0.1332 0.1233
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0386 0.1332 0.1233
Schistosoma mansoni voltage-gated potassium channel 0.012 0.0112 0.0112
Loa Loa (eye worm) serotonin transporter b 0.2273 1 1
Schistosoma mansoni sodium-dependent amino acid transporter 0.0386 0.1332 0.1332
Loa Loa (eye worm) hypothetical protein 0.0386 0.1332 0.1233
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0762 0.3057 0.5
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.012 0.0112 0.0112
Loa Loa (eye worm) hypothetical protein 0.0528 0.1986 0.1895
Treponema pallidum sodium- and chloride- dependent transporter 0.2273 1 0.5
Echinococcus multilocularis sodium and chloride dependent glycine 0.0386 0.1332 0.1233
Echinococcus granulosus voltage gated potassium channel 0.0176 0.0369 0.026
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0609 0.2355 0.2268
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0386 0.1332 0.1332
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0386 0.1332 0.1233
Plasmodium falciparum enoyl-acyl carrier reductase 0.0762 0.3057 1
Loa Loa (eye worm) hypothetical protein 0.0386 0.1332 0.1233
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0386 0.1332 0.1233
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0386 0.1332 0.1233
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0386 0.1332 0.1233
Loa Loa (eye worm) hypothetical protein 0.2273 1 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0386 0.1332 0.1332
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0386 0.1332 0.1233
Schistosoma mansoni sodium/chloride dependent transporter 0.2273 1 1
Echinococcus granulosus serotonin transporter 0.2273 1 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.012 0.0112 0.0112
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0569 0.2171 0.6991

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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