Detailed information for compound 1971730

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 457.584 | Formula: C25H36FN5O2
  • H donors: 2 H acceptors: 2 LogP: 2.65 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCN1C(C)CN(CC1C)c1ccc(c(c1)F)C[C@H](NC(=O)[C@H]1N[C@H]2C[C@@H]1CC2)C#N
  • InChi: 1S/C25H36FN5O2/c1-16-14-30(15-17(2)31(16)8-9-33-3)22-7-5-18(23(26)12-22)10-21(13-27)29-25(32)24-19-4-6-20(11-19)28-24/h5,7,12,16-17,19-21,24,28H,4,6,8-11,14-15H2,1-3H3,(H,29,32)/t16?,17?,19-,20+,21-,24-/m0/s1
  • InChiKey: KNULSPGFBWAFEV-QAGFWZOLSA-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 cathepsin C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium hominis preprocathepsin c precursor Get druggable targets OG5_130494 All targets in OG5_130494
Theileria parva cathepsin C, putative Get druggable targets OG5_130494 All targets in OG5_130494
Plasmodium vivax dipeptidyl aminopeptidase 2, putative Get druggable targets OG5_130494 All targets in OG5_130494
Plasmodium vivax dipeptidyl aminopeptidase 1, putative Get druggable targets OG5_130494 All targets in OG5_130494
Theileria parva cathepsin C, putative Get druggable targets OG5_130494 All targets in OG5_130494
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase Get druggable targets OG5_130494 All targets in OG5_130494
Plasmodium berghei dipeptidyl aminopeptidase 1, putative Get druggable targets OG5_130494 All targets in OG5_130494
Plasmodium berghei dipeptidyl aminopeptidase 2 Get druggable targets OG5_130494 All targets in OG5_130494
Cryptosporidium parvum preprocathepsin c precursor, putative Get druggable targets OG5_130494 All targets in OG5_130494
Plasmodium yoelii Homo sapiens P3ECSL-related Get druggable targets OG5_130494 All targets in OG5_130494
Giardia lamblia Dipeptidyl-peptidase I precursor Get druggable targets OG5_130494 All targets in OG5_130494
Plasmodium yoelii cathepsin c precursor Get druggable targets OG5_130494 All targets in OG5_130494
Neospora caninum hypothetical protein Get druggable targets OG5_130494 All targets in OG5_130494
Babesia bovis cathepsin C precursor, putative Get druggable targets OG5_130494 All targets in OG5_130494
Toxoplasma gondii cathepsin CPC1 Get druggable targets OG5_130494 All targets in OG5_130494
Toxoplasma gondii preprocathepsin c precursor, putative Get druggable targets OG5_130494 All targets in OG5_130494
Plasmodium knowlesi dipeptidyl aminopeptidase 1, putative Get druggable targets OG5_130494 All targets in OG5_130494
Schistosoma japonicum Cathepsin C precursor, putative Get druggable targets OG5_130494 All targets in OG5_130494
Plasmodium falciparum dipeptidyl aminopeptidase 2 Get druggable targets OG5_130494 All targets in OG5_130494
Plasmodium knowlesi dipeptidyl aminopeptidase 2, putative Get druggable targets OG5_130494 All targets in OG5_130494
Plasmodium falciparum dipeptidyl aminopeptidase 1 Get druggable targets OG5_130494 All targets in OG5_130494
Schistosoma japonicum ko:K01275 cathepsin C [EC3.4.14.1], putative Get druggable targets OG5_130494 All targets in OG5_130494
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) Get druggable targets OG5_130494 All targets in OG5_130494
Babesia bovis preprocathepsin c precursor, putative Get druggable targets OG5_130494 All targets in OG5_130494
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium vivax dipeptidyl aminopeptidase 3, putative cathepsin C 141 aa 152 aa 22.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus nAChR subunit 0.0041 0 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0143 0.5393 0.5
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0041 0 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0041 0 0.5
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0041 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0 0.5
Echinococcus multilocularis nAChR subunit 0.0041 0 0.5
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0041 0 0.5
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0041 0 0.5
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0041 0 0.5
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0041 0 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0041 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0 0.5
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0041 0 0.5
Loa Loa (eye worm) ACC-1 protein 0.0041 0 0.5
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0041 0 0.5
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0041 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0 0.5
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.023 1 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0041 0 0.5
Echinococcus granulosus glycine receptor subunit alpha 1 0.0041 0 0.5
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0041 0 0.5
Onchocerca volvulus 0.0041 0 0.5
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0041 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0 0.5
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0041 0 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0041 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0 0.5
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0041 0 0.5
Onchocerca volvulus 0.0041 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0 0.5
Loa Loa (eye worm) LGC-31 protein 0.0041 0 0.5
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.023 1 1
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0041 0 0.5
Loa Loa (eye worm) ACC-1 protein 0.0041 0 0.5
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0041 0 0.5
Onchocerca volvulus 0.0041 0 0.5
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0041 0 0.5
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.023 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0 0.5
Toxoplasma gondii preprocathepsin c precursor, putative 0.023 1 1
Toxoplasma gondii cathepsin CPC1 0.023 1 1
Echinococcus granulosus glycine receptor subunit beta 0.0041 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0 0.5
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0041 0 0.5
Brugia malayi excitatory GABA receptor EXP-1A 0.0041 0 0.5
Echinococcus multilocularis glycine receptor subunit beta 0.0041 0 0.5
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0041 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0 0.5
Echinococcus granulosus glycine receptor subunit alpha 1 0.0041 0 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0041 0 0.5
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0041 0 0.5
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0041 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0 0.5
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0041 0 0.5
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0041 0 0.5
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0041 0 0.5
Brugia malayi Cation transporter family protein 0.0041 0 0.5
Echinococcus multilocularis glycine receptor subunit beta 0.0041 0 0.5
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0041 0 0.5
Brugia malayi Cation transporter family protein 0.0041 0 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0041 0 0.5
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0041 0 0.5
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0041 0 0.5
Onchocerca volvulus 0.0041 0 0.5
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0041 0 0.5
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0041 0 0.5
Onchocerca volvulus 0.0041 0 0.5
Onchocerca volvulus 0.0041 0 0.5
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0041 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0041 0 0.5
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0041 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0 0.5
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0041 0 0.5
Onchocerca volvulus Putative nachr subunit 0.0041 0 0.5
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.023 1 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0041 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0 0.5
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0041 0 0.5
Brugia malayi Cation transporter family protein 0.0041 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0 0.5
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0041 0 0.5
Echinococcus granulosus glycine receptor subunit beta 0.0041 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0 0.5
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.023 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0 0.5

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.
 
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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