Detailed information for compound 1652937

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 488.001 | Formula: C22H19ClFN5OS2
  • H donors: 2 H acceptors: 3 LogP: 5.98 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C(=O)Nc1nc(c(s1)c1csc(n1)Nc1cc(ccc1Cl)N(C)C)C
  • InChi: 1S/C22H19ClFN5OS2/c1-12-19(32-22(25-12)28-20(30)13-4-6-14(24)7-5-13)18-11-31-21(27-18)26-17-10-15(29(2)3)8-9-16(17)23/h4-11H,1-3H3,(H,26,27)(H,25,28,30)
  • InChiKey: WTFCITBRZGJGOO-UHFFFAOYSA-N  


Substructure search Similarity search

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
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0003 0 0.5
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.191 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0003 0 0.5
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.191 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0003 0 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.191 1 1
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.1721 0.901 0.901
Entamoeba histolytica P-glycoprotein 5, putative 0.0003 0 0.5
Trichomonas vaginalis taga, putative 0.0003 0 0.5
Mycobacterium ulcerans drugs-transport transmembrane ATP-binding protein ABC transporter 0.0003 0 0.5
Echinococcus granulosus family S10 non peptidase ue S10 family 0.1721 0.901 0.901
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0003 0 0.5
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.191 1 1
Entamoeba histolytica P-glycoprotein-2 0.0003 0 0.5
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0003 0 0.5
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0003 0 0.5
Loa Loa (eye worm) hypothetical protein 0.191 1 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0003 0 0.5
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0003 0 0.5
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0003 0 0.5
Mycobacterium tuberculosis Probable drugs-transport transmembrane ATP-binding protein ABC transporter 0.0003 0 0.5
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.191 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0003 0 0.5
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0003 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0235 0.0235
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0003 0 0.5
Trichomonas vaginalis ABC transporter, putative 0.0003 0 0.5
Entamoeba histolytica P-glycoprotein-2, putative 0.0003 0 0.5
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0003 0 0.5
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0003 0 0.5
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0003 0 0.5
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0003 0 0.5
Plasmodium falciparum ABC transporter B family member 6, putative 0.0003 0 0.5
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0003 0 0.5
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0003 0 0.5
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0003 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0235 0.0235
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0003 0 0.5
Plasmodium falciparum multidrug resistance protein 2 0.0003 0 0.5
Schistosoma mansoni lysosomal protective protein precursor (cathepsin A) (carboxypeptidase 0.0189 0.0974 0.0974
Toxoplasma gondii ABC transporter, putative 0.0003 0 0.5
Entamoeba histolytica P-glycoprotein-2 0.0003 0 0.5
Giardia lamblia Multidrug resistance-associated protein 1 0.0003 0 0.5
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog 0.191 1 1
Entamoeba histolytica P-glycoprotein 6, putative 0.0003 0 0.5
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0003 0 0.5
Plasmodium vivax multidrug resistance-associated protein 1, putative 0.0357 0.1857 1
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0003 0 0.5
Giardia lamblia ABC transporter, putative 0.0003 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0235 0.0235
Entamoeba histolytica hypothetical protein 0.0003 0 0.5
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.191 1 1
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0003 0 0.5
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0003 0 0.5
Trichomonas vaginalis abcb9, putative 0.0003 0 0.5
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0003 0 0.5
Plasmodium falciparum ABC transporter B family member 4, putative 0.0003 0 0.5
Entamoeba histolytica ATP-binding cassette protein, putative 0.0003 0 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.191 1 1
Plasmodium falciparum ABC transporter B family member 7, putative 0.0003 0 0.5
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0003 0 0.5
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0003 0 0.5
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0003 0 0.5
Entamoeba histolytica P-glycoprotein-1 0.0003 0 0.5
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0003 0 0.5
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.191 1 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0003 0 0.5
Echinococcus multilocularis lysosomal protective protein 0.191 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0235 0.0235
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0003 0 0.5
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0003 0 0.5
Entamoeba histolytica P-glycoprotein 6, putative 0.0003 0 0.5
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0003 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0235 0.0235
Trichomonas vaginalis ABC transporter, putative 0.0003 0 0.5
Trichomonas vaginalis ABC transporter, putative 0.0003 0 0.5
Plasmodium falciparum ABC transporter B family member 5, putative 0.0003 0 0.5
Mycobacterium ulcerans component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD 0.0003 0 0.5
Plasmodium falciparum multidrug resistance-associated protein 2 0.0003 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0235 0.0235
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0003 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0235 0.0235
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0235 0.0235
Mycobacterium tuberculosis Iron-regulated transporter IrtA 0.0003 0 0.5
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0003 0 0.5
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0003 0 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.191 1 1
Entamoeba histolytica P-glycoprotein-5 0.0003 0 0.5
Trichomonas vaginalis abcb9, putative 0.0003 0 0.5
Plasmodium falciparum multidrug resistance protein 1 0.0003 0 0.5
Entamoeba histolytica ATP-binding cassette protein, putative 0.0003 0 0.5
Entamoeba histolytica ABC transporter, putative 0.0003 0 0.5
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0003 0 0.5
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0003 0 0.5
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0003 0 0.5
Toxoplasma gondii ATP-binding cassette sub-family B member 5 0.0003 0 0.5
Entamoeba histolytica ATP-binding cassette protein, putative 0.0003 0 0.5
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.191 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0235 0.0235
Entamoeba histolytica P-glyco protein 6, putative 0.0003 0 0.5
Giardia lamblia MRP-like ABC transporter 0.0003 0 0.5
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0003 0 0.5
Trichomonas vaginalis abcb9, putative 0.0003 0 0.5
Plasmodium falciparum ABC transporter B family member 3, putative 0.0003 0 0.5
Trichomonas vaginalis ABC transporter, putative 0.0003 0 0.5
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0003 0 0.5
Toxoplasma gondii ABC transporter family protein 0.0003 0 0.5
Plasmodium falciparum multidrug resistance-associated protein 1 0.0003 0 0.5
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0003 0 0.5
Entamoeba histolytica multidrug resistance protein, putative 0.0003 0 0.5
Echinococcus granulosus lysosomal protective protein 0.191 1 1

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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