Detailed information for compound 1803507

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 492.654 | Formula: C32H36N4O
  • H donors: 0 H acceptors: 2 LogP: 6.08 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)c1cc(n(n1)Cc1ccccc1)C(=O)N1CCN(CC1)Cc1ccc(cc1)C(C)C
  • InChi: 1S/C32H36N4O/c1-24(2)28-15-11-27(12-16-28)22-34-17-19-35(20-18-34)32(37)31-21-30(29-13-9-25(3)10-14-29)33-36(31)23-26-7-5-4-6-8-26/h4-16,21,24H,17-20,22-23H2,1-3H3
  • InChiKey: DPFGLMCVGYCWRM-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
Schistosoma mansoni ras GTP exchange factor 0.002 0.0018 0.0063
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0028 0.0164 0.0146
Schistosoma mansoni dep domain containing protein 0.0028 0.0164 0.0582
Loa Loa (eye worm) hypothetical protein 0.0028 0.0164 0.0146
Schistosoma mansoni kinesin eg-5 0.0026 0.0127 0.045
Schistosoma mansoni dishevelled 0.0028 0.0164 0.0582
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.002 0.0018 0.0063
Brugia malayi regulator of G-protein signaling egl-10 0.0028 0.0164 0.0146
Loa Loa (eye worm) hypothetical protein 0.0028 0.0164 0.0146
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0028 0.0164 0.0582
Schistosoma mansoni dishevelled 0.0028 0.0164 0.0582
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.002 0.0018 0.0063
Trichomonas vaginalis ras GTP exchange factor, putative 0.002 0.0018 0.5
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0028 0.0164 0.0146
Brugia malayi hypothetical protein 0.0028 0.0164 0.0146
Loa Loa (eye worm) hypothetical protein 0.0028 0.0164 0.0146
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0028 0.0164 0.0447
Trichomonas vaginalis guanine nucleotide exchange factor, putative 0.002 0.0018 0.5
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.002 0.0018 0.0063
Echinococcus multilocularis regulator of G protein signaling 7 0.0028 0.0164 0.0447
Echinococcus granulosus regulator of G protein signaling 7 0.0028 0.0164 0.0447
Echinococcus granulosus Pleckstrin G protein interacting region 0.0028 0.0164 0.0447
Echinococcus granulosus segment polarity protein dishevelled 0.0028 0.0164 0.0447
Echinococcus granulosus segment polarity protein dishevelled 0.0028 0.0164 0.0447
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.002 0.0018 0.0063
Giardia lamblia Kinesin-5 0.0026 0.0127 0.5
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0028 0.0164 0.0146
Loa Loa (eye worm) DIX domain-containing protein 0.0028 0.0164 0.0146
Schistosoma mansoni regulator of G protein signaling 0.0028 0.0164 0.0582
Echinococcus multilocularis kinesin family 1 0.0198 0.3288 1
Loa Loa (eye worm) hypothetical protein 0.0564 1 1
Schistosoma mansoni z-protein (S1r protein) 0.0028 0.0164 0.0582
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0564 1 1
Plasmodium falciparum kinesin-5 0.0026 0.0127 0.5
Toxoplasma gondii hypothetical protein 0.0028 0.0164 1
Onchocerca volvulus 0.0028 0.0164 0.0146
Echinococcus multilocularis segment polarity protein dishevelled 0.0028 0.0164 0.0447
Brugia malayi DIX domain containing protein 0.0028 0.0164 0.0146
Trypanosoma cruzi hypothetical protein 0.002 0.0018 0.5
Entamoeba histolytica kinesin, putative 0.0026 0.0127 1
Trichomonas vaginalis ras GTP exchange factor, putative 0.002 0.0018 0.5
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0028 0.0164 0.0146
Brugia malayi hypothetical protein 0.0028 0.0164 0.0146
Echinococcus granulosus kinesin family 1 0.0198 0.3288 1
Plasmodium vivax kinesin-5 0.0026 0.0127 0.5
Brugia malayi Kinesin motor domain containing protein 0.0026 0.0127 0.0109
Schistosoma mansoni hypothetical protein 0.0172 0.2816 1
Trypanosoma cruzi hypothetical protein 0.002 0.0018 0.5
Loa Loa (eye worm) kinesin-like protein KLP2 0.0026 0.0127 0.0109
Echinococcus multilocularis regulator of G protein signaling 7 0.0028 0.0164 0.0447
Trypanosoma cruzi guanine nucleotide releasing protein, putative 0.002 0.0018 0.5
Trichomonas vaginalis ras GTP exchange factor, son of sevenless, putative 0.002 0.0018 0.5
Echinococcus multilocularis segment polarity protein dishevelled 0.0028 0.0164 0.0447
Echinococcus granulosus regulator of G protein signaling 7 0.0028 0.0164 0.0447

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) Acute toxicity against Mus musculus Swiss albino (mouse) assessed as morbidity after 48 hr ChEMBL. No reference
Activity (ADMET) Acute toxicity against Mus musculus Swiss albino (mouse) assessed as mortality after 48 hr ChEMBL. No reference
Activity (functional) = 103.8 % Anticancer activity against Homo sapiens (human) HL60 cells assessed as cell viability at 50 uM after 48 hr by MTT assay (Rvb = 100 +/-8.41%) ChEMBL. No reference
Activity (functional) = 44.2 10'-2mm Anti-inflammatory activity in carrageenan-induced Mus musculus Swiss albino (mouse) paw edema model assessed as paw swelling at 100 mg/kg, sc administered 30 min prior to carrageenan injection measured after 90 min (Rvb = 38.0 +/-2.0 x10'-2 mm) ChEMBL. No reference
Activity (functional) = 49 10'-2mm Anti-inflammatory activity in carrageenan-induced Mus musculus Swiss albino (mouse) paw edema model assessed as paw swelling at 100 mg/kg, sc administered 30 min prior to carrageenan injection measured after 180 min (Rvb = 51.0 +/-3.0 x10'-2 mm) ChEMBL. No reference
Activity (functional) = 53 10'-2mm Anti-inflammatory activity in carrageenan-induced Mus musculus Swiss albino (mouse) paw edema model assessed as paw swelling at 100 mg/kg, sc administered 30 min prior to carrageenan injection measured after 360 min (Rvb = 77.0 +/-3.0 x10'-2 mm) ChEMBL. No reference
Activity (functional) = 55 10'-2mm Anti-inflammatory activity in carrageenan-induced Mus musculus Swiss albino (mouse) paw edema model assessed as paw swelling at 100 mg/kg, sc administered 30 min prior to carrageenan injection measured after 270 min (rvb = 75.0 +/-3.0 x10'-2 mm) ChEMBL. No reference
Inhibition (functional) = 4.1 % Anti-inflammatory activity in carrageenan-induced Mus musculus Swiss albino (mouse) paw edema model assessed as inhibition of paw edema at 100 mg/kg, sc administered 30 min prior to carrageenan injection measured after 180 min ChEMBL. No reference
Inhibition (functional) = 26.7 % Anti-inflammatory activity in carrageenan-induced Mus musculus Swiss albino (mouse) paw edema model assessed as inhibition of paw edema at 100 mg/kg, sc administered 30 min prior to carrageenan injection measured after 270 min ChEMBL. No reference
Inhibition (functional) = 30.4 % Anti-inflammatory activity in carrageenan-induced Mus musculus Swiss albino (mouse) paw edema model assessed as inhibition of paw edema at 100 mg/kg, sc administered 30 min prior to carrageenan injection measured after 360 min 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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