Detailed information for compound 1632522

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 495.367 | Formula: C22H38BrCl2N3
  • H donors: 0 H acceptors: 0 LogP: 6.44 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCCCN1CCCC1)CCCCN(CCc1ccc(c(c1)Cl)Cl)C.Br
  • InChi: 1S/C22H37Cl2N3.BrH/c1-25(13-5-6-15-27-16-7-8-17-27)12-3-4-14-26(2)18-11-20-9-10-21(23)22(24)19-20;/h9-10,19H,3-8,11-18H2,1-2H3;1H
  • InChiKey: SAJDFXCTCCWXLD-UHFFFAOYSA-N  

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
Brugia malayi MH2 domain containing protein 0.0009 0.0015 0.0015
Brugia malayi SWIB/MDM2 domain containing protein 0.0993 1 1
Schistosoma mansoni zinc finger protein 0.0018 0.0104 0.0104
Loa Loa (eye worm) hypothetical protein 0.0018 0.0104 0.0104
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0138 0.0102
Schistosoma mansoni fusion 0.0353 0.3507 0.3507
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0353 0.3507 1
Echinococcus multilocularis E3 ubiquitin protein ligase mib1 0.0018 0.0104 0.0104
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0353 0.3507 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0993 1 1
Echinococcus multilocularis roundabout 2 0.0011 0.0034 0.0034
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.0138 1
Echinococcus granulosus zinc finger protein Ran binding 0.0353 0.3507 0.3507
Echinococcus multilocularis smad 0.0009 0.0015 0.0015
Onchocerca volvulus 0.0353 0.3507 0.3507
Loa Loa (eye worm) hypothetical protein 0.0018 0.0104 0.0104
Echinococcus multilocularis Lipid transport protein, N terminal 0.0093 0.0868 0.0868
Loa Loa (eye worm) brahma associated protein 0.0993 1 1
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0993 1 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0138 0.0138
Schistosoma mansoni hypothetical protein 0.0018 0.0104 0.0104
Schistosoma mansoni hypothetical protein 0.0353 0.3507 0.3507
Loa Loa (eye worm) hypothetical protein 0.0018 0.0104 0.0104
Brugia malayi brahma associated protein 60 kDa 0.0993 1 1
Schistosoma mansoni hypothetical protein 0.0993 1 1
Echinococcus granulosus neuroglian 0.0009 0.0011 0.0011
Echinococcus granulosus ring finger protein 113a 0.0018 0.0104 0.0104
Leishmania major hypothetical protein, conserved 0.0353 0.3507 1
Echinococcus granulosus E3 ubiquitin protein ligase mib1 0.0018 0.0104 0.0104
Echinococcus multilocularis RING finger protein 185 0.0018 0.0104 0.0104
Loa Loa (eye worm) hypothetical protein 0.0018 0.0104 0.0104
Echinococcus multilocularis E3 ubiquitin protein ligase MYLIP 0.0018 0.0104 0.0104
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0138 1
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0353 0.3507 0.3507
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0138 0.0035
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0138 0.5
Onchocerca volvulus 0.0104 0.0978 0.0978
Loa Loa (eye worm) transcription factor SMAD2 0.0136 0.13 0.13
Loa Loa (eye worm) RiNg Finger protein family member 0.0018 0.0104 0.0104
Schistosoma mansoni hypothetical protein 0.0018 0.0104 0.0104
Schistosoma mansoni peter pan-related 0.0018 0.0104 0.0104
Brugia malayi hypothetical protein 0.0018 0.0104 0.0104
Loa Loa (eye worm) hypothetical protein 0.0018 0.0104 0.0104
Schistosoma mansoni brg-1 associated factor 0.0993 1 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0138 0.0138
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0015 0.0015
Loa Loa (eye worm) MH2 domain-containing protein 0.0136 0.13 0.13
Chlamydia trachomatis DNA topoisomerase I 0.0993 1 0.5
Toxoplasma gondii ran binding protein 0.0353 0.3507 0.3438
Schistosoma mansoni ap endonuclease 0.0021 0.0138 0.0138
Loa Loa (eye worm) Smad1 0.0009 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0056 0.0492 0.0492
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0993 1 1
Loa Loa (eye worm) hypothetical protein 0.0353 0.3507 0.3507
Echinococcus granulosus E3 ubiquitin protein ligase LRSAM1 0.0018 0.0104 0.0104
Onchocerca volvulus 0.0018 0.0104 0.0104
Schistosoma mansoni hypothetical protein 0.0993 1 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0353 0.3507 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0993 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0034 0.0034
Echinococcus granulosus E3 ubiquitin protein ligase RNF146 0.0018 0.0104 0.0104
Brugia malayi Immunoglobulin I-set domain containing protein 0.0114 0.1079 0.1079
Onchocerca volvulus Protein neuralized homolog 0.0018 0.0104 0.0104
Schistosoma mansoni peter pan-related 0.0018 0.0104 0.0104
Brugia malayi hypothetical protein 0.0018 0.0104 0.0104
Plasmodium falciparum zinc finger Ran-binding domain-containing protein 2, putative 0.0353 0.3507 0.3438
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0138 0.0102
Brugia malayi hypothetical protein 0.0018 0.0104 0.0104
Echinococcus multilocularis E3 ubiquitin protein ligase LRSAM1 0.0018 0.0104 0.0104
Echinococcus multilocularis ring finger protein 113a 0.0018 0.0104 0.0104
Brugia malayi hypothetical protein 0.0018 0.0104 0.0104
Trypanosoma cruzi hypothetical protein, conserved 0.0353 0.3507 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0138 0.5
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0015 0.0015
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0104 0.0104
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0353 0.3507 0.3507
Onchocerca volvulus 0.0018 0.0104 0.0104
Trypanosoma cruzi WLM domain containing protein, putative 0.0353 0.3507 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0138 0.0035
Brugia malayi RING finger protein 20 0.0018 0.0104 0.0104
Loa Loa (eye worm) hypothetical protein 0.0018 0.0104 0.0104
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0138 0.0102
Schistosoma mansoni RNA binding protein 0.0353 0.3507 0.3507
Echinococcus multilocularis neuropeptide receptor 0.0408 0.4059 0.4059
Schistosoma mansoni neuropeptide receptor 0.0408 0.4059 0.4059
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0138 0.0035
Echinococcus multilocularis ring and YY1 binding protein 0.0353 0.3507 0.3507
Trypanosoma cruzi hypothetical protein, conserved 0.0353 0.3507 1
Schistosoma mansoni Smad4 0.0009 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0353 0.3507 0.3507
Onchocerca volvulus 0.0018 0.0104 0.0104
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0993 1 1
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0993 1 1
Echinococcus granulosus microsomal triglyceride transfer protein large 0.0164 0.159 0.159
Echinococcus multilocularis Smad4 0.0009 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0018 0.0104 0.0104
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0353 0.3507 0.3438
Trypanosoma cruzi hypothetical protein, conserved 0.0353 0.3507 1
Onchocerca volvulus Apolipophorins homolog 0.0093 0.0868 0.0868
Schistosoma mansoni smad 0.0009 0.0015 0.0015
Schistosoma mansoni hypothetical protein 0.0164 0.159 0.159
Onchocerca volvulus 0.0018 0.0104 0.0104
Echinococcus granulosus Lipid transport protein N terminal 0.0093 0.0868 0.0868
Echinococcus granulosus Zinc finger RanBP2 type 0.0353 0.3507 0.3507
Echinococcus granulosus neuropeptide receptor 0.0408 0.4059 0.4059
Loa Loa (eye worm) RING finger protein 20 0.0018 0.0104 0.0104
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0993 1 1
Onchocerca volvulus Putative RING finger protein 207 0.0018 0.0104 0.0104
Echinococcus multilocularis zinc finger protein Ran binding 0.0353 0.3507 0.3507
Echinococcus granulosus twitchin 0.0009 0.0011 0.0011
Brugia malayi RING zinc finger protein 0.0018 0.0104 0.0104
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0138 0.0035
Echinococcus granulosus ring and YY1 binding protein 0.0353 0.3507 0.3507
Brugia malayi MH2 domain containing protein 0.0009 0.0015 0.0015
Brugia malayi B-box zinc finger family protein 0.0018 0.0104 0.0104
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0015 0.0015
Echinococcus granulosus smad 0.0009 0.0015 0.0015
Echinococcus multilocularis E3 ubiquitin protein ligase Bre1 0.0018 0.0104 0.0104
Brugia malayi hypothetical protein 0.0018 0.0104 0.0104
Schistosoma mansoni nephrin 0.0009 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0353 0.3507 0.3507
Schistosoma mansoni smad1 5 8 and 0.0009 0.0015 0.0015
Brugia malayi Neuralized family protein 0.0018 0.0104 0.0104
Brugia malayi hypothetical protein 0.0018 0.0104 0.0104
Loa Loa (eye worm) hypothetical protein 0.0018 0.0104 0.0104
Brugia malayi MH2 domain containing protein 0.0136 0.13 0.13
Loa Loa (eye worm) hypothetical protein 0.0018 0.0104 0.0104
Loa Loa (eye worm) hypothetical protein 0.0164 0.159 0.159
Trypanosoma brucei hypothetical protein, conserved 0.0353 0.3507 1
Echinococcus multilocularis microsomal triglyceride transfer protein large 0.0164 0.159 0.159
Schistosoma mansoni cell adhesion molecule 0.0009 0.0016 0.0016
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0353 0.3507 1
Schistosoma mansoni smad1 5 8 and 0.0009 0.0015 0.0015
Echinococcus multilocularis G protein coupled receptor 139 0.0408 0.4059 0.4059
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0015 0.0015
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0993 1 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0016 0.0016
Schistosoma mansoni rnf5 0.0018 0.0104 0.0104
Schistosoma mansoni TRABID protein (C64 family) 0.0353 0.3507 0.3507
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0138 0.0138
Echinococcus granulosus RING finger protein 185 0.0018 0.0104 0.0104
Schistosoma mansoni cellular tumor antigen P53 0.0056 0.0492 0.0492
Loa Loa (eye worm) hypothetical protein 0.0353 0.3507 0.3507
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0138 0.0102
Brugia malayi Hypothetical RING finger protein C16C10.7 in chromosome III 0.0018 0.0104 0.0104
Brugia malayi Zinc finger protein 183 homolog 0.0018 0.0104 0.0104
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0353 0.3507 1
Echinococcus granulosus ring finger protein 170 0.0018 0.0104 0.0104
Trichomonas vaginalis conserved hypothetical protein 0.0993 1 1
Plasmodium vivax hypothetical protein, conserved 0.0993 1 1
Echinococcus granulosus SWI:SNF matrix associated 0.0993 1 1
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0353 0.3507 0.3507
Echinococcus granulosus E3 ubiquitin protein ligase MYLIP 0.0018 0.0104 0.0104
Echinococcus multilocularis SWI:SNF matrix associated 0.0993 1 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0353 0.3507 1
Echinococcus granulosus tumor protein p63 0.0384 0.3823 0.3823
Schistosoma mansoni ring finger protein 151 0.0018 0.0104 0.0104
Echinococcus multilocularis ring finger protein 170 0.0018 0.0104 0.0104
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0138 0.5
Loa Loa (eye worm) hypothetical protein 0.0093 0.0868 0.0868
Toxoplasma gondii exonuclease III APE 0.0021 0.0138 0.0035
Trypanosoma brucei hypothetical protein, conserved 0.0353 0.3507 1
Echinococcus granulosus E3 ubiquitin protein ligase Bre1 0.0018 0.0104 0.0104
Loa Loa (eye worm) hypothetical protein 0.0018 0.0104 0.0104
Schistosoma mansoni ap endonuclease 0.0021 0.0138 0.0138
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0353 0.3507 0.3507
Echinococcus granulosus RING finger and transmembrane domain containing protein 0.0018 0.0104 0.0104
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0353 0.3507 1
Echinococcus granulosus cell growth regulator with ring finger domain 0.0018 0.0104 0.0104
Schistosoma mansoni inhibitor of apoptosis 1 diap1 0.0018 0.0104 0.0104
Onchocerca volvulus 0.0993 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0015 0.0015
Echinococcus multilocularis neuroglian 0.0009 0.0011 0.0011
Echinococcus multilocularis SWI:SNF matrix associated 0.0993 1 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0015 0.0015
Brugia malayi Zinc finger, C2H2 type family protein 0.0018 0.0104 0.0104
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0353 0.3507 1
Onchocerca volvulus 0.0353 0.3507 0.3507
Schistosoma mansoni smad1 5 8 and 0.0009 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0011 0.0034 0.0034
Leishmania major hypothetical protein, conserved 0.0353 0.3507 1
Onchocerca volvulus Tyrosine kinase homolog 0.0107 0.1003 0.1003
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0353 0.3507 0.3507
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0353 0.3507 0.3507
Brugia malayi YY1-associated factor 2 0.0353 0.3507 0.3507
Brugia malayi MH1 domain containing protein 0.0009 0.0015 0.0015
Schistosoma mansoni zinc finger protein 0.0353 0.3507 0.3507
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0138 0.5
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0138 0.0138
Echinococcus multilocularis RING finger and transmembrane domain containing protein 0.0018 0.0104 0.0104
Onchocerca volvulus 0.0353 0.3507 0.3507
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0114 0.1079 0.1079
Echinococcus multilocularis tumor protein p63 0.0384 0.3823 0.3823
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0993 1 1
Onchocerca volvulus 0.0056 0.0492 0.0492
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0353 0.3507 0.3507
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0015 0.0015
Leishmania major hypothetical protein, conserved 0.0353 0.3507 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0353 0.3507 0.3507
Schistosoma mansoni mind bomb 0.0018 0.0104 0.0104
Onchocerca volvulus 0.0353 0.3507 0.3507
Echinococcus granulosus Smad4 0.0009 0.0015 0.0015
Leishmania major hypothetical protein, conserved 0.0353 0.3507 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0009 0.0016 0.0016
Brugia malayi MH1 domain containing protein 0.0009 0.0015 0.0015
Echinococcus multilocularis 0.0018 0.0104 0.0104
Onchocerca volvulus 0.0018 0.0104 0.0104
Leishmania major hypothetical protein, conserved 0.0353 0.3507 1
Chlamydia trachomatis SWIB complex protein 0.0993 1 0.5
Schistosoma mansoni hypothetical protein 0.0993 1 1
Schistosoma mansoni hypothetical protein 0.0018 0.0104 0.0104
Onchocerca volvulus RING finger protein 141 homolog 0.0018 0.0104 0.0104
Onchocerca volvulus 0.0018 0.0104 0.0104
Echinococcus granulosus roundabout 2 0.0011 0.0034 0.0034
Brugia malayi Smad1 0.0009 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0353 0.3507 0.3507

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -6.293 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.045 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.994 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.901 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.9 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.828 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.767 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.718 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.718 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.704 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.564 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) 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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