Detailed information for compound 1514402

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 389.318 | Formula: C21H22Cl2N2O
  • H donors: 1 H acceptors: 1 LogP: 4.83 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)Cl)C(=O)NC1CCC2C1CN(C2)Cc1ccccc1
  • InChi: 1S/C21H22Cl2N2O/c22-16-7-8-17(19(23)10-16)21(26)24-20-9-6-15-12-25(13-18(15)20)11-14-4-2-1-3-5-14/h1-5,7-8,10,15,18,20H,6,9,11-13H2,(H,24,26)
  • InChiKey: IPDDIRKMHXLCKE-UHFFFAOYSA-N  

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 calcium channel, voltage-dependent, T type, alpha 1H subunit Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_129328 All targets in OG5_129328
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog Get druggable targets OG5_129328 All targets in OG5_129328
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129328 All targets in OG5_129328

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
Brugia malayi Doublecortin family protein 0.0023 0.0218 0.0313
Onchocerca volvulus 0.0032 0.0519 0.4452
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0893 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0893 0.1282
Echinococcus granulosus lamin dm0 0.0032 0.0519 0.0738
Loa Loa (eye worm) hypothetical protein 0.0042 0.0893 0.1282
Schistosoma mansoni lipoxygenase 0.0138 0.4288 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.0893 0.1658
Mycobacterium ulcerans lipoprotein LpqF 0.0144 0.4489 0.3948
Trichomonas vaginalis conserved hypothetical protein 0.0208 0.6763 1
Plasmodium falciparum LCCL domain-containing protein 0.0023 0.0218 0.5
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0144 0.4489 0.3948
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0214 0.697 1
Onchocerca volvulus 0.0032 0.0519 0.4452
Schistosoma mansoni intermediate filament proteins 0.0032 0.0519 0.0738
Loa Loa (eye worm) hypothetical protein 0.0042 0.0893 0.1282
Brugia malayi beta-lactamase 0.0042 0.0893 0.1282
Loa Loa (eye worm) hypothetical protein 0.0042 0.0893 0.1282
Loa Loa (eye worm) hypothetical protein 0.0214 0.697 1
Echinococcus multilocularis musashi 0.0032 0.0519 0.0738
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.0893 0.1658
Loa Loa (eye worm) hypothetical protein 0.0031 0.0498 0.0715
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0893 0.1282
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0893 0.5
Echinococcus multilocularis lamin 0.0032 0.0519 0.0738
Mycobacterium tuberculosis Possible penicillin-binding protein 0.027 0.8933 0.8828
Loa Loa (eye worm) hypothetical protein 0.0023 0.0218 0.0313
Loa Loa (eye worm) hypothetical protein 0.0023 0.0218 0.0313
Schistosoma mansoni lamin 0.0032 0.0519 0.0738
Echinococcus multilocularis lamin dm0 0.0032 0.0519 0.0738
Loa Loa (eye worm) hypothetical protein 0.0042 0.0893 0.1282
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0032 0.0519 0.0744
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0138 0.4288 1
Onchocerca volvulus 0.0042 0.0893 1
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0144 0.4489 1
Toxoplasma gondii ABC1 family protein 0.0042 0.0893 0.5
Schistosoma mansoni lamin 0.0032 0.0519 0.0738
Loa Loa (eye worm) doublecortin family protein 0.0023 0.0218 0.0313
Loa Loa (eye worm) beta-lactamase 0.0042 0.0893 0.1282
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0138 0.4288 1
Onchocerca volvulus 0.0042 0.0893 1
Loa Loa (eye worm) intermediate filament protein 0.0032 0.0519 0.0744
Echinococcus granulosus intermediate filament protein 0.0032 0.0519 0.0738
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0893 0.5
Brugia malayi intermediate filament protein 0.0032 0.0519 0.0744
Loa Loa (eye worm) hypothetical protein 0.0042 0.0893 0.1282
Brugia malayi hypothetical protein 0.0023 0.0218 0.0313
Brugia malayi Intermediate filament tail domain containing protein 0.0032 0.0519 0.0744
Brugia malayi beta-lactamase family protein 0.0042 0.0893 0.1282
Brugia malayi hypothetical protein 0.0023 0.0218 0.0313
Schistosoma mansoni lipoxygenase 0.0097 0.2818 0.6387
Leishmania major hypothetical protein, conserved 0.0042 0.0893 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.0519 0.0744
Onchocerca volvulus 0.0042 0.0893 1
Brugia malayi beta-lactamase family protein 0.0042 0.0893 0.1282
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0893 0.1658
Trypanosoma brucei beta lactamase 0.0144 0.4489 1
Echinococcus granulosus lamin 0.0032 0.0519 0.0738
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0893 0.1658
Loa Loa (eye worm) hypothetical protein 0.0042 0.0893 0.1282

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 10 uM PUBCHEM_BIOASSAY: Inhibitors of T-Type Calcium Channels (SynthLib2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID449739, AID463087, AID489005, AID493041, AID504579, AID504584, AID504619, AID504628] 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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