Detailed information for compound 1021768

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 376.534 | Formula: C25H32N2O
  • H donors: 1 H acceptors: 0 LogP: 5.58 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)[C@@H]1N[C@H](c2ccc(cc2)CC)[C@H]2/C(=N\OC)/[C@@H]1CCC2
  • InChi: 1S/C25H32N2O/c1-4-17-9-13-19(14-10-17)23-21-7-6-8-22(25(21)27-28-3)24(26-23)20-15-11-18(5-2)12-16-20/h9-16,21-24,26H,4-8H2,1-3H3/b27-25-/t21-,22+,23+,24-/m1/s1
  • InChiKey: JEBRIJKLISYTST-IKKHNEJMSA-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
Echinococcus granulosus inositol monophosphatase 1 0.0072 0.0259 0.0259
Trypanosoma cruzi sterol C-24 reductase, putative 0.0046 0.0072 0.0301
Schistosoma mansoni vesicular acetylcholine transporter 0.0438 0.2844 0.2844
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.006 0.006
Echinococcus granulosus lamin b receptor 0.0088 0.0372 0.0372
Loa Loa (eye worm) inositol-1 0.0072 0.0259 0.091
Brugia malayi metabotropic glutamate receptor type 2 0.0044 0.0061 0.0213
Trypanosoma cruzi C-14 sterol reductase, putative 0.0088 0.0372 0.1556
Brugia malayi Metabotropic glutamate receptor precursor. 0.0091 0.039 0.1372
Echinococcus multilocularis geminin 0.0191 0.1101 0.1101
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.006 0.006
Onchocerca volvulus 0.0088 0.0372 0.1307
Schistosoma mansoni hypothetical protein 0.0047 0.008 0.008
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0072 0.0259 0.1082
Brugia malayi latrophilin 2 splice variant baaae 0.0101 0.0465 0.1635
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.008 0.028
Loa Loa (eye worm) hypothetical protein 0.0148 0.0797 0.2802
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.006 0.006
Loa Loa (eye worm) serotonin transporter b 0.0088 0.0372 0.1307
Schistosoma mansoni hypothetical protein 0.0047 0.008 0.008
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0148 0.0797 0.2802
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0082 0.033 0.1159
Echinococcus granulosus GPCR family 2 0.0047 0.008 0.008
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.008 0.028
Onchocerca volvulus Huntingtin homolog 0.0122 0.0607 0.2134
Schistosoma mansoni hypothetical protein 0.0191 0.1101 0.1101
Plasmodium vivax hypothetical protein, conserved 0.0036 0 0.5
Echinococcus granulosus geminin 0.0191 0.1101 0.1101
Schistosoma mansoni metabotropic glutamate receptor 0.0076 0.0286 0.0286
Schistosoma mansoni Lamin B receptor (ERG24) 0.0088 0.0372 0.0372
Onchocerca volvulus Huntingtin homolog 0.0122 0.0607 0.2134
Trypanosoma cruzi sterol C-24 reductase, putative 0.0046 0.0072 0.0301
Loa Loa (eye worm) solute carrier family 6 member 4 0.0088 0.0372 0.1307
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.006 0.006
Echinococcus granulosus vesicular acetylcholine transporter 0.0438 0.2844 0.2844
Leishmania major C-14 sterol reductase, putative 0.0088 0.0372 0.1556
Echinococcus granulosus metabotropic glutamate receptor 2 0.0076 0.0286 0.0286
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0438 0.2844 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.008 0.008
Schistosoma mansoni inositol monophosphatase 0.0072 0.0259 0.0259
Brugia malayi MH2 domain containing protein 0.0115 0.0563 0.1979
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.0563 0.1979
Loa Loa (eye worm) hypothetical protein 0.0374 0.2393 0.8414
Treponema pallidum sodium- and chloride- dependent transporter 0.0088 0.0372 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0088 0.0372 0.1307
Loa Loa (eye worm) glutamate receptor 0.0036 0 0.0001
Loa Loa (eye worm) hypothetical protein 0.0088 0.0372 0.1307
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.006 0.021
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0072 0.0259 0.1082
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.008 0.008
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0103 0.0478 0.0478
Trypanosoma brucei C-8 sterol isomerase, putative 0.0374 0.2393 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0088 0.0372 0.0372
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.008 0.008
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.008 0.008
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0065 0.0205 0.1507
Echinococcus multilocularis lamin b receptor 0.0088 0.0372 0.0372
Schistosoma mansoni hypothetical protein 0.0101 0.0465 0.0465
Brugia malayi Inositol-1 0.0072 0.0259 0.091
Trypanosoma brucei C-14 sterol reductase, putative 0.0088 0.0372 0.1556
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.006 0.006
Echinococcus multilocularis inositol monophosphatase 1 0.0072 0.0259 0.0259
Loa Loa (eye worm) hypothetical protein 0.0112 0.0539 0.1894
Schistosoma mansoni metabotropic glutamate receptor 0.0044 0.0061 0.0061
Brugia malayi Latrophilin receptor protein 2 0.0047 0.008 0.028
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0072 0.0259 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0072 0.0259 1
Echinococcus multilocularis microtubule associated protein 2 0.145 1 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0072 0.0259 1
Brugia malayi hypothetical protein 0.0122 0.0607 0.2134
Brugia malayi Calcitonin receptor-like protein seb-1 0.0148 0.0797 0.2802
Leishmania major sterol C-24 reductase, putative 0.0046 0.0072 0.0301
Brugia malayi vesicular acetylcholine transporter unc-17 0.0438 0.2844 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.008 0.028
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.006 0.021
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0438 0.2844 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0072 0.0259 0.1082
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0072 0.0259 0.5
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0072 0.0259 0.1082
Loa Loa (eye worm) hypothetical protein 0.0101 0.0465 0.1635
Echinococcus multilocularis vesicular acetylcholine transporter 0.0438 0.2844 0.2844
Echinococcus multilocularis GPCR, family 2 0.0047 0.008 0.008
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.0563 0.1979
Loa Loa (eye worm) hypothetical protein 0.0088 0.0372 0.1307
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0374 0.2393 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0065 0.0205 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0072 0.0259 1
Schistosoma mansoni hypothetical protein 0.0047 0.008 0.008
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0805 0.5437 0.5437
Schistosoma mansoni microtubule-associated protein tau 0.145 1 1
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0374 0.2393 0.8414
Loa Loa (eye worm) norepinephrine transporter 0.0088 0.0372 0.1307
Schistosoma mansoni hypothetical protein 0.0191 0.1101 0.1101
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.006 0.006
Echinococcus granulosus serotonin transporter 0.0088 0.0372 0.0372
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0072 0.0259 1
Echinococcus granulosus metabotropic glutamate receptor 5 0.0112 0.0539 0.0539
Loa Loa (eye worm) hypothetical protein 0.0088 0.0372 0.1307
Loa Loa (eye worm) glutamate receptor 0.0091 0.039 0.1372
Leishmania major C-8 sterol isomerase-like protein 0.0374 0.2393 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0072 0.0253
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0228 0.1361 1
Loa Loa (eye worm) hypothetical protein 0.0122 0.0607 0.2134
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0112 0.0539 0.0539
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0148 0.0797 0.2802
Echinococcus multilocularis serotonin transporter 0.0088 0.0372 0.0372
Trypanosoma cruzi C-14 sterol reductase, putative 0.0088 0.0372 0.1556
Trichomonas vaginalis inositol monophosphatase, putative 0.0072 0.0259 1
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0076 0.0286 0.0286
Schistosoma mansoni inositol monophosphatase 0.0072 0.0259 0.0259
Schistosoma mansoni hypothetical protein 0.0047 0.008 0.008
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.006 0.006
Schistosoma mansoni sodium/chloride dependent transporter 0.0088 0.0372 0.0372
Loa Loa (eye worm) hypothetical protein 0.0122 0.0607 0.2134

Activities

Activity type Activity value Assay description Source Reference
IZ (functional) = 0 mm Antituberculosis activity against Mycobacterium tuberculosis H37Rv ChEMBL. 21429744

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.

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