Detailed information for compound 69630

Basic information

Technical information
  • TDR Targets ID: 69630
  • Name: 2-[3-chloro-4-[5-[2-chloro-4-(diaminomethylid eneamino)phenyl]furan-2-yl]phenyl]guanidine
  • MW: 403.265 | Formula: C18H16Cl2N6O
  • H donors: 4 H acceptors: 0 LogP: 2.95 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)Nc1ccc(c(c1)Cl)c1ccc(o1)c1ccc(cc1Cl)NC(=N)N
  • InChi: 1S/C18H16Cl2N6O/c19-13-7-9(25-17(21)22)1-3-11(13)15-5-6-16(27-15)12-4-2-10(8-14(12)20)26-18(23)24/h1-8H,(H4,21,22,25)(H4,23,24,26)
  • InChiKey: SEUQKSILENGZBY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[3-chloro-4-[5-(2-chloro-4-guanidino-phenyl)-2-furyl]phenyl]guanidine
  • 2-[3-chloro-4-[5-(2-chloro-4-guanidinophenyl)-2-furyl]phenyl]guanidine
  • 2-[4-[5-[4-[bis(azanyl)methylideneamino]-2-chloro-phenyl]furan-2-yl]-3-chloro-phenyl]guanidine
  • AIDS110726
  • (4-{5-[4-(Amidinoamino)-2-chlorophenyl](2-furyl)}-3-chlorophenyl)aminocarboxamidine
  • AIDS-110726

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
Echinococcus multilocularis purine nucleoside phosphorylase 0.0323 0.7614 0.7614
Brugia malayi Nuclear hormone receptor-like 1 0.0269 0.6109 0.5931
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0076 0.0633 0.0203
Echinococcus granulosus purine nucleoside phosphorylase 0.0407 1 1
Loa Loa (eye worm) trypsin family protein 0.0076 0.0633 0.027
Schistosoma mansoni hypothetical protein 0.0136 0.2333 0.1981
Echinococcus granulosus thymidylate synthase 0.0106 0.1489 0.1489
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0076 0.0633 0.0633
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0082 0.0801 0.5
Echinococcus multilocularis transmembrane protease serine 3 0.0076 0.0633 0.0633
Schistosoma mansoni peptidase Clp (S14 family) 0.0082 0.0801 0.0379
Loa Loa (eye worm) hypothetical protein 0.0076 0.0633 0.027
Echinococcus multilocularis purine nucleoside phosphorylase 0.0407 1 1
Schistosoma mansoni purine nucleoside phosphorylase 0.0407 1 1
Echinococcus granulosus transmembrane protease serine 3 0.0076 0.0633 0.0633
Brugia malayi uridine phosphorylase family protein 0.0084 0.0862 0.0442
Toxoplasma gondii phosphorylase family protein 0.0084 0.0862 0.0314
Echinococcus granulosus purine nucleoside phosphorylase 0.0407 1 1
Mycobacterium tuberculosis Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase 0.0084 0.0862 0.0862
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0076 0.0633 0.0203
Schistosoma mansoni uridine phosphorylase 0.0084 0.0862 0.0442
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0076 0.0633 0.0203
Mycobacterium ulcerans purine nucleoside phosphorylase 0.0407 1 1
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0106 0.1489 0.1489
Schistosoma mansoni cercarial elastase (S01 family) 0.0076 0.0633 0.0203
Echinococcus multilocularis enteropeptidase 0.0076 0.0633 0.0633
Echinococcus multilocularis purine nucleoside phosphorylase 0.0407 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0076 0.0633 0.0203
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0082 0.0801 0.018
Echinococcus granulosus purine nucleoside phosphorylase 0.0407 1 1
Echinococcus multilocularis Mastin 0.0076 0.0633 0.0633
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.1349 0.1267
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0076 0.0633 0.0203
Schistosoma mansoni cercarial elastase (S01 family) 0.0076 0.0633 0.0203
Toxoplasma gondii phosphorylase family protein 0.0084 0.0862 0.0314
Schistosoma mansoni methylthioadenosine phosphorylase 0.0084 0.0862 0.0442
Brugia malayi Trypsin family protein 0.0076 0.0633 0.0203
Echinococcus granulosus purine nucleoside phosphorylase 0.0407 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0407 1 1
Schistosoma mansoni methylthioadenosine phosphorylase 0.0084 0.0862 0.0442
Leishmania major dihydrofolate reductase-thymidylate synthase 0.015 0.2718 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0076 0.0633 0.0203
Loa Loa (eye worm) MH2 domain-containing protein 0.0126 0.2032 0.222
Schistosoma mansoni cercarial elastase (S01 family) 0.0076 0.0633 0.0203
Echinococcus multilocularis purine nucleoside phosphorylase 0.0407 1 1
Echinococcus multilocularis thymidylate synthase 0.0106 0.1489 0.1489
Mycobacterium leprae probable uridine phosphorylase 0.0084 0.0862 0.0862
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0076 0.0633 0.0203
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0407 1 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0082 0.0801 0.018
Brugia malayi Nuclear hormone receptor-like 1 0.0269 0.6109 0.5931
Echinococcus multilocularis thyroid hormone receptor alpha 0.0158 0.2953 0.2953
Loa Loa (eye worm) hypothetical protein 0.0101 0.1349 0.1267
Loa Loa (eye worm) hypothetical protein 0.0076 0.0633 0.027
Brugia malayi MTAP 0.0084 0.0862 0.0442
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0076 0.0633 0.0203
Schistosoma mansoni methylthioadenosine phosphorylase 0.0084 0.0862 0.0442
Entamoeba histolytica hypothetical protein 0.0084 0.0862 0.5
Brugia malayi Trypsin family protein 0.0076 0.0633 0.0203
Echinococcus granulosus uridine phosphorylase 1 0.0084 0.0862 0.0862
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.1349 0.0951
Echinococcus multilocularis purine nucleoside phosphorylase 0.0407 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0076 0.0633 0.0203
Loa Loa (eye worm) hypothetical protein 0.0076 0.0633 0.027
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0084 0.0862 0.5
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.0407 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0407 1 1
Echinococcus granulosus methylthioadenosine phosphorylase 0.0084 0.0862 0.0862
Brugia malayi MH2 domain containing protein 0.0126 0.2032 0.1666
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0076 0.0633 0.0203
Schistosoma mansoni thyroid hormone receptor 0.0158 0.2953 0.2629
Mycobacterium tuberculosis Hypothetical protein 0.0084 0.0862 0.0862
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0084 0.0862 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0076 0.0633 0.0203
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0407 1 1
Brugia malayi Trypsin family protein 0.0076 0.0633 0.0203
Schistosoma mansoni thyroid hormone receptor 0.0158 0.2953 0.2629
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0076 0.0633 0.0633
Schistosoma mansoni hypothetical protein 0.0076 0.0633 0.0203
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0084 0.0862 0.5
Onchocerca volvulus 0.0106 0.1489 0.0914
Schistosoma mansoni uridine phosphorylase 0.0084 0.0862 0.0442
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0082 0.0801 0.0801
Echinococcus multilocularis purine nucleoside phosphorylase 0.0407 1 1
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0084 0.0862 0.0589
Brugia malayi Trypsin family protein 0.0076 0.0633 0.0203
Echinococcus multilocularis purine nucleoside phosphorylase 0.0323 0.7614 0.7614
Mycobacterium ulcerans thymidylate synthase 0.0106 0.1489 0.0914
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0407 1 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.015 0.2718 1
Echinococcus granulosus glycoprotein Antigen 5 0.0076 0.0633 0.0633
Plasmodium falciparum purine nucleoside phosphorylase 0.0084 0.0862 0.0314
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0269 0.6109 0.7903
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0084 0.0862 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0076 0.0633 0.0203
Loa Loa (eye worm) hypothetical protein 0.0323 0.7614 1
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0084 0.0862 0.0862
Brugia malayi hypothetical protein 0.0076 0.0633 0.0203
Echinococcus granulosus purine nucleoside phosphorylase 0.0407 1 1
Mycobacterium ulcerans bifunctional Mta/Sah nucleosidase Mtn 0.0084 0.0862 0.0244
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.015 0.2718 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0076 0.0633 0.0203
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0136 0.2333 0.2333
Loa Loa (eye worm) hypothetical protein 0.0076 0.0633 0.027
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0076 0.0633 0.0633
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.0084 0.0862 0.0244
Schistosoma mansoni cercarial elastase (S01 family) 0.0076 0.0633 0.0203
Schistosoma mansoni cercarial elastase (S01 family) 0.0076 0.0633 0.0203
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0136 0.2333 0.2333
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0106 0.1489 0.1098
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0082 0.0801 0.0801
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0084 0.0862 0.0314
Loa Loa (eye worm) hypothetical protein 0.0082 0.0801 0.0505
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase 0.0323 0.7614 0.7614
Toxoplasma gondii Purine nucleoside phosphorylase 0.0084 0.0862 0.0314
Brugia malayi Nuclear hormone receptor-like 1 0.028 0.6402 0.6236
Echinococcus multilocularis glycoprotein Antigen 5 0.0076 0.0633 0.0633
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0082 0.0801 0.0801
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0084 0.0862 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0084 0.0862 0.0862
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0076 0.0633 0.0203
Loa Loa (eye worm) thymidylate synthase 0.0106 0.1489 0.1463
Echinococcus multilocularis uridine phosphorylase 1 0.0084 0.0862 0.0862
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.015 0.2718 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0633 0.027
Schistosoma mansoni purine nucleoside phosphorylase 0.0407 1 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0633 0.027
Schistosoma mansoni hypothetical protein 0.0076 0.0633 0.0203
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0106 0.1489 0.1489
Echinococcus granulosus Mastin 0.0076 0.0633 0.0633
Treponema pallidum pfs protein (pfs) 0.0084 0.0862 1
Loa Loa (eye worm) hypothetical protein 0.0268 0.6074 0.7855
Giardia lamblia Deoxynucleoside kinase 0.0383 0.9319 0.9254
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0076 0.0633 0.0633
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.015 0.2718 1
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0084 0.0862 0.5
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0407 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0076 0.0633 0.0203
Echinococcus granulosus purine nucleoside phosphorylase 0.0407 1 1
Treponema pallidum uridine phosphorylase (udp) 0.0084 0.0862 1
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0084 0.0862 1
Chlamydia trachomatis AMP nucleosidase 0.0084 0.0862 1
Loa Loa (eye worm) transcription factor SMAD2 0.0126 0.2032 0.222
Brugia malayi thymidylate synthase 0.0106 0.1489 0.1098
Brugia malayi Trypsin-like protease protein 5 0.0076 0.0633 0.0203
Loa Loa (eye worm) uridine phosphorylase 0.0084 0.0862 0.0589
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.1349 0.0951
Brugia malayi Probable ClpP-like protease 0.0082 0.0801 0.0379
Echinococcus granulosus enteropeptidase 0.0076 0.0633 0.0633
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.015 0.2718 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0407 1 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0633 0.027

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) = 11.6 uM MRC5 CC50 (uM) Cytotoxicity ChEMBL. No reference
Delta Tm (binding) = 4.7 DNA binding affinity measured as an increase in thermal melting of d(CGCGAATTCGCG)2 ChEMBL. 12781196
Delta Tm (binding) = 4.7 In vitro DNA binding affinity to oligo [d(CGCGAATTCGCG)2]. ChEMBL. 11356109
Delta Tm (binding) = 26.1 DNA binding affinity measured as an increase in thermal melting of poly(dA.dT)2 ChEMBL. 12781196
Delta Tm (binding) = 26.1 In vitro binding affinity to poly dA.dT. ChEMBL. 11356109
IC50 (functional) = 0.23 uM AntiTrypanosoma brucei activity T. b. rhodesiense IC50 (uM) ChEMBL. No reference
IC50 (functional) = 0.29 uM AntiTrypanosoma cruzi activity IC50 (uM) ChEMBL. No reference
IC50 (functional) = 1.01 uM AntiLeishmania activity L. infantum (macrophages) IC50 (uM) ChEMBL. No reference
IC50 (functional) = 1.03 uM AntiTrypanosoma brucei activity T. b. brucei IC50 (uM) ChEMBL. No reference
IC50 (functional) = 6.2 uM Inhibitory activity against Leishmania donovani (amastigote) ChEMBL. 12781196
IC50 (functional) = 6.2 uM Inhibitory activity against Leishmania donovani (amastigote) ChEMBL. 12781196
IC50 (functional) > 6.8 uM Inhibitory activity against Leishmania donovani (macrophage) ChEMBL. 12781196
IC50 (functional) > 6.8 uM Inhibitory activity against Leishmania donovani (macrophage) ChEMBL. 12781196
IC50 (functional) = 14.2 uM Cell toxicity of the compound was evaluated ChEMBL. 12781196
IC50 (functional) = 27 uM Inhibitory activity against Trypanosoma cruzi ChEMBL. 12781196
IC50 (functional) = 27 uM Inhibitory activity against Trypanosoma cruzi ChEMBL. 12781196
Inhibition (binding) Compound was evaluated for the inhibition of human FECH at 10uM MMV_PBOX. No reference
MFC (functional) = 100 ug ml-1 In vitro minimum fungicidal concentration against C. albicans. ChEMBL. 11356109
MFC (functional) = 100 ug ml-1 In vitro minimum fungicidal concentration required to inhibit Aspergillus fumigatus(MFC) ChEMBL. 11356109
MIC (functional) = 4 ug ml-1 In vitro minimum inhibitory concentration required to inhibit Mycobacterium tuberculosis ChEMBL. 11356109
MIC (functional) = 10 ug ml-1 In vitro minimum inhibitory concentration against C. albicans. ChEMBL. 11356109
MIC (functional) = 100 ug ml-1 Antimicrobial activity against Aspergillus fumigatus (MIC) ChEMBL. 11356109

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Leishmania infantum ChEMBL23
Trypanosoma cruzi ChEMBL23
Trypanosoma brucei ChEMBL23
Leishmania donovani ChEMBL23 12781196
Trypanosoma brucei gambiense

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

2 literature references were collected for this gene.

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