Detailed information for compound 283664

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 307.842 | Formula: C15H18ClN3S
  • H donors: 1 H acceptors: 0 LogP: 2.76 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cc2CN(CC3CC3)C[C@H](n3c2c(c1)[nH]c3=S)C
  • InChi: 1S/C15H18ClN3S/c1-9-6-18(7-10-2-3-10)8-11-4-12(16)5-13-14(11)19(9)15(20)17-13/h4-5,9-10H,2-3,6-8H2,1H3,(H,17,20)/t9-/m1/s1
  • InChiKey: IHSAXGWUBJTHME-SECBINFHSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Mycobacterium ulcerans methionine aminopeptidase 0.0997 0.8198 1
Toxoplasma gondii methionine aminopeptidase 0.0997 0.8198 0.8198
Plasmodium falciparum methionine aminopeptidase 1a, putative 0.0997 0.8198 0.8198
Plasmodium falciparum HP12 protein homolog, putative 0.0192 0.0617 0.0617
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0997 0.8198 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0126 0 0.5
Toxoplasma gondii methionine aminopeptidase 0.1189 1 1
Entamoeba histolytica methionine aminopeptidase, putative 0.0126 0 0.5
Schistosoma mansoni hypothetical protein 0.0267 0.1324 0.1615
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.1189 1 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0126 0 0.5
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.0126 0 0.5
Plasmodium vivax hypothetical protein, conserved 0.0192 0.0617 0.0617
Entamoeba histolytica peptidase, putative 0.0126 0 0.5
Plasmodium vivax methionine aminopeptidase 1a, putative 0.0997 0.8198 0.8198
Giardia lamblia Methionine aminopeptidase 0.0126 0 0.5
Onchocerca volvulus 0.0126 0 0.5
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0997 0.8198 0.8198
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0997 0.8198 1
Trypanosoma brucei methionine aminopeptidase, putative 0.1189 1 1
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0997 0.8198 1
Trypanosoma brucei RNA helicase, putative 0.0267 0.1324 0.1324
Trypanosoma cruzi hypothetical protein, conserved 0.0192 0.0617 0.0617
Chlamydia trachomatis methionine aminopeptidase 0.0997 0.8198 1
Giardia lamblia Xaa-Pro dipeptidase 0.0126 0 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0126 0 0.5
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.1189 1 1
Entamoeba histolytica aminopeptidase, putative 0.0126 0 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0126 0 0.5
Onchocerca volvulus FACT complex subunit SPT16 homolog 0.0126 0 0.5
Treponema pallidum methionine aminopeptidase (map) 0.0997 0.8198 1
Toxoplasma gondii methionine aminopeptidase, type i, putative 0.0997 0.8198 0.8198
Giardia lamblia Xaa-Pro dipeptidase 0.0126 0 0.5
Onchocerca volvulus Dipeptidase C homolog 0.0126 0 0.5
Entamoeba histolytica Xaa-Pro dipeptidase, putative 0.0126 0 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0126 0 0.5
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.1189 1 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0126 0 0.5
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0997 0.8198 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0126 0 0.5
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0997 0.8198 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0126 0 0.5
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.1189 1 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0126 0 0.5
Toxoplasma gondii hypothetical protein 0.0192 0.0617 0.0617
Loa Loa (eye worm) methionine aminopeptidase type I 0.1189 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0192 0.0617 0.0617
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0997 0.8198 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0126 0 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0126 0 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0126 0 0.5
Leishmania major hypothetical protein, conserved 0.0192 0.0617 0.0617
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0126 0 0.5
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0997 0.8198 1
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.1189 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0192 0.0617 0.0617
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.1189 1 1
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.1189 1 1
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0997 0.8198 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0126 0 0.5
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.1189 1 1
Plasmodium vivax methionine aminopeptidase 1b, putative 0.1189 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2.18 uM Effective concentration of compound required to achieve 50% protection of MT-4 cells against the cytopathic effect of HIV-1 number of experiments = 6 ChEMBL. 7877143
IC50 (functional) = 2.18 uM Effective concentration of compound required to achieve 50% protection of MT-4 cells against the cytopathic effect of HIV-1 number of experiments = 6 ChEMBL. 7877143

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 7877143

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.