Detailed information for compound 65752

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 566.776 | Formula: C36H46N4O2
  • H donors: 2 H acceptors: 0 LogP: 5.38 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: NCCCCCCN1CC2N(CC1[C@H]([C@@H]2OCc1ccccc1)OCc1ccccc1)CCc1c[nH]c2c1cccc2
  • InChi: 1S/C36H46N4O2/c37-20-11-1-2-12-21-39-24-34-36(42-27-29-15-7-4-8-16-29)35(41-26-28-13-5-3-6-14-28)33(39)25-40(34)22-19-30-23-38-32-18-10-9-17-31(30)32/h3-10,13-18,23,33-36,38H,1-2,11-12,19-22,24-27,37H2/t33?,34?,35-,36-/m1/s1
  • InChiKey: YMTWFHFHAHFWPA-DZUWIXTPSA-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
Rattus norvegicus Somatostatin receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis thyrotropin releasing hormone receptor Somatostatin receptor   363 aa 330 aa 27.3 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Somatostatin receptor   363 aa 314 aa 23.9 %
Onchocerca volvulus Somatostatin receptor   363 aa 313 aa 24.0 %
Onchocerca volvulus Somatostatin receptor   363 aa 318 aa 25.2 %
Echinococcus multilocularis neuropeptide receptor Somatostatin receptor   363 aa 344 aa 28.8 %
Brugia malayi GnHR receptor homolog Somatostatin receptor   363 aa 352 aa 21.3 %
Loa Loa (eye worm) neuropeptide F receptor Somatostatin receptor   363 aa 300 aa 26.7 %
Onchocerca volvulus Somatostatin receptor   363 aa 325 aa 23.4 %
Echinococcus multilocularis g protein coupled receptor Somatostatin receptor   363 aa 387 aa 21.2 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Somatostatin receptor   363 aa 292 aa 27.4 %
Onchocerca volvulus Somatostatin receptor   363 aa 316 aa 21.5 %
Echinococcus multilocularis allatostatin A receptor Somatostatin receptor   363 aa 306 aa 31.7 %
Schistosoma mansoni peptide (allatostatin)-like receptor Somatostatin receptor   363 aa 297 aa 27.9 %
Onchocerca volvulus Somatostatin receptor   363 aa 331 aa 25.1 %
Loa Loa (eye worm) hypothetical protein Somatostatin receptor   363 aa 291 aa 25.4 %
Echinococcus granulosus allatostatin A receptor Somatostatin receptor   363 aa 301 aa 31.6 %
Onchocerca volvulus Phospholipase d-related homolog Somatostatin receptor   363 aa 295 aa 21.0 %
Schistosoma mansoni adenoreceptor Somatostatin receptor   363 aa 306 aa 26.5 %
Echinococcus granulosus thyrotropin releasing hormone receptor Somatostatin receptor   363 aa 330 aa 27.0 %
Schistosoma mansoni neuropeptide F-like receptor Somatostatin receptor   363 aa 295 aa 24.1 %
Onchocerca volvulus E3 ubiquitin-protein ligase rpm-1 homolog Somatostatin receptor   363 aa 347 aa 22.5 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0385 1 1
Trichomonas vaginalis abcb9, putative 0.0385 1 1
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0385 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0119 0.2669 0.2669
Trichomonas vaginalis taga, putative 0.0385 1 1
Echinococcus granulosus multidrug resistance associated protein 1 0.0135 0.3121 0.3121
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0385 1 1
Entamoeba histolytica P-glycoprotein 6, putative 0.0123 0.2787 0.0161
Echinococcus multilocularis multidrug resistance associated protein 1 0.0135 0.3121 0.3121
Brugia malayi P-glycoprotein-like protein 0.0123 0.2787 0.2787
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0385 1 1
Loa Loa (eye worm) ABC transporter 0.0123 0.2787 0.2787
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0385 1 1
Entamoeba histolytica hypothetical protein 0.0135 0.3121 0.0617
Schistosoma mansoni ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6) 0.0119 0.2669 0.2669
Entamoeba histolytica ABC transporter, putative 0.0135 0.3121 0.0617
Brugia malayi ABC transporter family protein 0.0123 0.2787 0.2787
Trichomonas vaginalis conserved hypothetical protein 0.0119 0.2669 0.2669
Entamoeba histolytica multidrug resistance protein, putative 0.0135 0.3121 0.0617
Loa Loa (eye worm) hypothetical protein 0.0077 0.1522 0.1522
Trypanosoma brucei multidrug resistance protein E 0.0135 0.3121 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0119 0.2669 0.2669
Brugia malayi ABC transporter family protein 0.0123 0.2787 0.2787
Plasmodium falciparum multidrug resistance protein 1 0.0385 1 1
Entamoeba histolytica P-glyco protein 6, putative 0.0385 1 1
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0135 0.3121 1
Trypanosoma cruzi multidrug resistance protein E, putative 0.0135 0.3121 1
Echinococcus granulosus multidrug resistance protein 1 0.0266 0.6732 0.6732
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0385 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0385 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0077 0.1523 0.1523
Mycobacterium ulcerans component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD 0.0123 0.2787 0.5
Echinococcus granulosus multidrug resistance protein 1 0.0266 0.6732 0.6732
Echinococcus granulosus ATP binding cassette sub family B 0.0119 0.2669 0.2669
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0135 0.3121 0.1548
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0089 0.1861 0.1861
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0385 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0385 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0385 1 1
Toxoplasma gondii hypothetical protein 0.0189 0.4605 0.2521
Trichomonas vaginalis abcb9, putative 0.0385 1 1
Loa Loa (eye worm) hypothetical protein 0.0119 0.2669 0.2669
Echinococcus granulosus ATP binding cassette sub family B 0.0123 0.2787 0.2787
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0385 1 1
Brugia malayi ABC transporter transmembrane region family protein 0.0123 0.2787 0.2787
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0385 1 0.5
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0385 1 1
Leishmania major p-glycoprotein e 0.0135 0.3121 0.1548
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0385 1 1
Loa Loa (eye worm) hypothetical protein 0.0385 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0119 0.2669 0.2669
Echinococcus granulosus multidrug resistance protein 1 0.0385 1 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0135 0.3121 0.0617
Schistosoma mansoni voltage-gated potassium channel 0.0095 0.2031 0.2031
Brugia malayi ABC transporter transmembrane region family protein 0.0119 0.2669 0.2669
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0385 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0385 1 1
Leishmania major ATP-binding cassette protein subfamily C, member 8, putative 0.0123 0.2787 0.1137
Schistosoma mansoni multidrug resistance protein 0.0135 0.3121 0.3121
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0123 0.2787 0.2787
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0029 0.0209 0.0209
Loa Loa (eye worm) hypothetical protein 0.0189 0.4605 0.4605
Entamoeba histolytica P-glycoprotein-5 0.0385 1 1
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0135 0.3121 0.1548
Mycobacterium ulcerans drugs-transport transmembrane ATP-binding protein ABC transporter 0.0123 0.2787 0.5
Brugia malayi ABC transporter family protein 0.0123 0.2787 0.2787
Echinococcus multilocularis ATP binding cassette sub family B 0.0123 0.2787 0.2787
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0385 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0385 1 1
Echinococcus multilocularis voltage gated potassium channel 0.0029 0.0209 0.0209
Trichomonas vaginalis ABC transporter, putative 0.0385 1 1
Schistosoma mansoni multidrug resistance protein 0.0135 0.3121 0.3121
Entamoeba histolytica P-glycoprotein-2 0.0385 1 1
Giardia lamblia MRP-like ABC transporter 0.0135 0.3121 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0385 1 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0385 1 1
Loa Loa (eye worm) hypothetical protein 0.0189 0.4605 0.4605
Brugia malayi ABC transporter transmembrane region family protein 0.0135 0.3121 0.3121
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0385 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0385 1 1
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0123 0.2787 0.5
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0135 0.3121 0.1548
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0123 0.2787 0.2787
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0189 0.4605 0.4605
Giardia lamblia Multidrug resistance-associated protein 1 0.0135 0.3121 1
Trichomonas vaginalis ABC transporter, putative 0.0385 1 1
Loa Loa (eye worm) hypothetical protein 0.038 0.9882 0.9882
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.038 0.9882 0.9882
Schistosoma mansoni multidrug resistance protein 0.0385 1 1
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0385 1 1
Trichomonas vaginalis ABC transporter, putative 0.0385 1 1
Schistosoma mansoni multidrug resistance protein 0.0123 0.2787 0.2787
Plasmodium vivax multidrug resistance protein 1, putative 0.0385 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0077 0.1523 0.1523
Echinococcus multilocularis multidrug resistance associated protein 7 0.0135 0.3121 0.3121
Entamoeba histolytica P-glycoprotein 5, putative 0.0385 1 1
Leishmania major ATP-binding cassette protein subfamily B, member 3, putative 0.0123 0.2787 0.1137
Trichomonas vaginalis abcb9, putative 0.0385 1 1
Loa Loa (eye worm) ABC transporter 0.0123 0.2787 0.2787
Echinococcus granulosus sodium channel protein 0.0089 0.1861 0.1861
Echinococcus multilocularis ATP binding cassette sub family B 0.0123 0.2787 0.2787
Brugia malayi ABC transporter 0.0119 0.2669 0.2669
Entamoeba histolytica P-glycoprotein-2 0.0385 1 1
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0385 1 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0088 0.1822 0.1822
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0385 1 1
Schistosoma mansoni multidrug resistance protein 0.0385 1 1
Echinococcus granulosus multidrug resistance protein 1 0.0385 1 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0131 0.3003 0.7392
Echinococcus multilocularis ATP binding cassette sub family B 0.0123 0.2787 0.2787
Schistosoma mansoni multidrug resistance protein 0.0385 1 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0088 0.1822 0.1822
Echinococcus multilocularis multidrug resistance protein 1 0.0385 1 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0135 0.3121 0.0617
Brugia malayi hypothetical protein 0.0123 0.2787 0.2787
Onchocerca volvulus 0.0385 1 0.5
Schistosoma mansoni multidrug resistance protein 0.0119 0.2669 0.2669
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0385 1 1
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0123 0.2787 0.5
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0135 0.3121 0.0464
Schistosoma mansoni voltage-gated potassium channel 0.0029 0.0209 0.0209
Echinococcus multilocularis multidrug resistance protein 1 0.0266 0.6732 0.6732
Leishmania major pentamidine resistance protein 1 0.0135 0.3121 0.1548
Schistosoma mansoni voltage-gated potassium channel 0.0029 0.0209 0.0209
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0385 1 1
Echinococcus granulosus ATP binding cassette sub family B 0.0123 0.2787 0.2787
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0385 1 1
Entamoeba histolytica P-glycoprotein-1 0.0385 1 1
Brugia malayi ABC transporter 0.0123 0.2787 0.2787
Leishmania major ATP-binding cassette protein subfamily B, member 1, putative 0.0123 0.2787 0.1137
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0123 0.2787 0.5
Giardia lamblia Multidrug resistance-associated protein 1 0.0135 0.3121 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0088 0.1822 0.1822
Echinococcus multilocularis multidrug resistance protein 1 0.0385 1 1
Loa Loa (eye worm) ABC transporter 0.0123 0.2787 0.2787
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0088 0.1822 0.1822
Echinococcus granulosus voltage gated potassium channel 0.0029 0.0209 0.0209
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0385 1 1
Leishmania major p-glycoprotein 0.0385 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0385 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0266 0.6732 0.6732
Loa Loa (eye worm) multidrug resistance protein 3 0.0385 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0123 0.2787 0.2787
Trypanosoma brucei p-glycoprotein 0.0135 0.3121 1
Brugia malayi ABC transporter family protein 0.0385 1 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0209 0.0209
Loa Loa (eye worm) hypothetical protein 0.0135 0.3121 0.3121
Schistosoma mansoni smdr1 0.0123 0.2787 0.2787
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0135 0.3121 1
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0029 0.0209 0.0209
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0385 1 1
Loa Loa (eye worm) hypothetical protein 0.0131 0.3003 0.3003
Entamoeba histolytica ATP-binding cassette protein, putative 0.0135 0.3121 0.0617
Entamoeba histolytica P-glycoprotein 6, putative 0.0123 0.2787 0.0161
Schistosoma mansoni multidrug resistance protein 0.0135 0.3121 0.3121
Echinococcus granulosus multidrug resistance associated protein 7 0.0135 0.3121 0.3121
Leishmania major ABC-thiol transporter 0.0135 0.3121 0.1548
Schistosoma mansoni multidrug resistance protein 0.0135 0.3121 0.3121
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0385 1 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0135 0.3121 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0135 0.3121 0.0617
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0029 0.0209 0.0209
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0123 0.2787 0.5
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0123 0.2787 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0095 0.2031 0.2031
Trichomonas vaginalis ABC transporter, putative 0.0385 1 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.3121 0.3121
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0123 0.2787 0.5
Echinococcus multilocularis 0.0123 0.2787 0.2787
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0135 0.3121 1
Entamoeba histolytica P-glycoprotein-2, putative 0.0385 1 1
Echinococcus multilocularis ATP binding cassette sub family B 0.038 0.9882 0.9882
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0135 0.3121 0.3121
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0135 0.3121 0.1548
Giardia lamblia ABC transporter, putative 0.0135 0.3121 1
Brugia malayi multidrug resistance related protein 1 0.0135 0.3121 0.3121
Echinococcus multilocularis sodium channel protein 0.0089 0.1861 0.1861
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0385 1 1
Loa Loa (eye worm) hypothetical protein 0.0189 0.4605 0.4605
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0385 1 1
Loa Loa (eye worm) hypothetical protein 0.0385 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0385 1 1
Schistosoma mansoni smdr2 0.0385 1 1
Loa Loa (eye worm) hypothetical protein 0.0123 0.2787 0.2787
Echinococcus multilocularis ATP binding cassette sub family B 0.0123 0.2787 0.2787
Echinococcus granulosus multidrug resistance protein 1 0.0385 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0385 1 1
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0123 0.2787 0.5
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0385 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 15 uM Compound was tested for its potency to displace 3-[125I]- - Tyr11-SRIF-14 from somatostatin receptor on membranes of rat cerebral cortex ChEMBL. No reference
IC50 (binding) = 15 uM Compound was tested for its potency to displace 3-[125I]- - Tyr11-SRIF-14 from somatostatin receptor on membranes of rat cerebral cortex 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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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