Detailed information for compound 1745407

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 271.397 | Formula: C18H25NO
  • H donors: 1 H acceptors: 1 LogP: 4.27 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=C[C@@H](N1CC[C@@]2([C@@H]([C@@H]1Cc1c2cc(cc1)O)C)C)C
  • InChi: 1S/C18H25NO/c1-5-12(2)19-9-8-18(4)13(3)17(19)10-14-6-7-15(20)11-16(14)18/h5-7,11-13,17,20H,1,8-10H2,2-4H3/t12-,13+,17-,18+/m0/s1
  • InChiKey: UKEVPQXYIJDXEL-RUZGCFLTSA-N  


Substructure search Similarity search

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 Mu opioid receptor Starlite/ChEMBL 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 allatostatin A receptor Mu opioid receptor   398 aa 341 aa 29.3 %
Echinococcus granulosus thyrotropin releasing hormone receptor Mu opioid receptor   398 aa 370 aa 27.3 %
Schistosoma japonicum Rhodopsin, putative Mu opioid receptor   398 aa 328 aa 23.2 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Mu opioid receptor   398 aa 334 aa 23.1 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Mu opioid receptor   398 aa 334 aa 24.9 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Mu opioid receptor   398 aa 371 aa 27.0 %
Schistosoma mansoni neuropeptide F-like receptor Mu opioid receptor   398 aa 335 aa 20.6 %
Onchocerca volvulus Mu opioid receptor   398 aa 376 aa 26.3 %
Onchocerca volvulus Mu opioid receptor   398 aa 333 aa 26.4 %
Onchocerca volvulus Programmed cell death protein 5 homolog Mu opioid receptor   398 aa 323 aa 24.1 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Mu opioid receptor   398 aa 397 aa 22.7 %
Echinococcus granulosus allatostatin A receptor Mu opioid receptor   398 aa 346 aa 29.5 %
Onchocerca volvulus Mu opioid receptor   398 aa 356 aa 23.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0164 0.0749 0.6931
Brugia malayi metallopeptidase family M24 containing protein 0.0127 0.0514 0.0513
Plasmodium falciparum HP12 protein homolog, putative 0.0582 0.3465 0.3111
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0127 0.0514 0.4273
Onchocerca volvulus 0.0263 0.1393 1
Loa Loa (eye worm) hypothetical protein 0.0133 0.0552 0.0462
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0127 0.0514 0.4273
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.1007 0.6223 1
Trypanosoma cruzi aminopeptidase P1, putative 0.0127 0.0514 0.0423
Trypanosoma brucei Xaa-Pro aminopeptidase, putative 0.0127 0.0514 0.0384
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.1589 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0238 0.1233 0.1261
Onchocerca volvulus 0.0127 0.0514 0.3687
Toxoplasma gondii methionine aminopeptidase, type i, putative 0.1007 0.6223 0.6018
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0387 0.2197 0.1774
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0127 0.0514 0.0384
Trypanosoma cruzi Metallopeptidase family M24, putative 0.0127 0.0514 0.0423
Treponema pallidum methionine aminopeptidase (map) 0.1007 0.6223 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0387 0.2197 0.353
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0127 0.0514 0.4273
Trypanosoma cruzi hypothetical protein, conserved 0.0582 0.3465 0.3403
Toxoplasma gondii methionine aminopeptidase 0.1589 1 1
Loa Loa (eye worm) pax transcription factor protein 2 0.0263 0.1393 0.131
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0127 0.0514 0.0384
Trypanosoma cruzi Metallopeptidase family M24, putative 0.0127 0.0514 0.0423
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0099 0.0332 0.646
Schistosoma mansoni Xaa-Pro dipeptidase (M24 family) 0.0127 0.0514 0.0825
Onchocerca volvulus FACT complex subunit SPT16 homolog 0.0127 0.0514 0.3687
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0127 0.0514 0.4273
Schistosoma mansoni microtubule-associated protein tau 0.0881 0.5407 0.8689
Echinococcus multilocularis survival motor neuron protein 1 0.0236 0.1218 0.0742
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0127 0.0514 0.4273
Entamoeba histolytica peptidase, putative 0.0127 0.0514 0.4273
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.0127 0.0514 0.3687
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0133 0.0552 0.0041
Trypanosoma brucei methionine aminopeptidase, putative 0.1589 1 1
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.1589 1 1
Schistosoma mansoni chromatin-specific transcription elongation factor 140 kDa subunit (M24 family) 0.0127 0.0514 0.0825
Schistosoma mansoni aminopeptidase P homologue (M24 family) 0.0127 0.0514 0.0825
Loa Loa (eye worm) initiation factor 2-associated protein 0.0127 0.0514 0.0423
Schistosoma mansoni proliferation-associated protein 2G4 38kDa (M24 family) 0.0127 0.0514 0.0825
Loa Loa (eye worm) hypothetical protein 0.0236 0.1218 0.1134
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0206 0.1022 0.0936
Loa Loa (eye worm) hypothetical protein 0.0127 0.0514 0.0423
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0127 0.0514 0.4273
Trypanosoma cruzi hypothetical protein, conserved 0.0582 0.3465 0.3403
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0206 0.1022 1
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.1007 0.6223 1
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.1589 1 1
Giardia lamblia Xaa-Pro dipeptidase 0.0127 0.0514 1
Brugia malayi initiation factor 2-associated protein. 0.0127 0.0514 0.0513
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0127 0.0514 0.0423
Mycobacterium ulcerans methionine aminopeptidase MapB 0.1007 0.6223 1
Entamoeba histolytica methionine aminopeptidase, putative 0.0127 0.0514 0.4273
Echinococcus granulosus microtubule associated protein 2 0.0881 0.5407 0.5158
Trypanosoma brucei hypothetical protein, conserved 0.0582 0.3465 0.3376
Entamoeba histolytica hypothetical protein, conserved 0.0127 0.0514 0.4273
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0133 0.0552 0.0552
Entamoeba histolytica aminopeptidase, putative 0.0127 0.0514 0.4273
Brugia malayi hypothetical protein 0.0236 0.1218 0.1218
Trypanosoma cruzi aminopeptidase P, putative 0.0127 0.0514 0.0423
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0206 0.1022 1
Toxoplasma gondii hypothetical protein 0.0582 0.3465 0.3111
Echinococcus multilocularis microtubule associated protein 2 0.0881 0.5407 0.5158
Trypanosoma brucei methionine aminopeptidase 2, putative 0.0127 0.0514 0.0384
Giardia lamblia Methionine aminopeptidase 0.0127 0.0514 1
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0069 0.0134 0.004
Entamoeba histolytica hypothetical protein 0.0164 0.0749 0.6931
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.1589 1 1
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.1007 0.6223 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0387 0.2197 0.1774
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0206 0.1022 0.0936
Trypanosoma cruzi Metallopeptidase family M24/FACT complex subunit (SPT16/CDC68)/Histone chaperone Rttp106-like, putative 0.0127 0.0514 0.0423
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0199 0.0982 0.9555
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0127 0.0514 0.0423
Entamoeba histolytica Xaa-Pro dipeptidase, putative 0.0127 0.0514 0.4273
Trypanosoma brucei Metallopeptidase family M24, putative 0.0127 0.0514 0.0384
Schistosoma mansoni aminopeptidase P1 (M24 family) 0.0127 0.0514 0.0825
Toxoplasma gondii methionine aminopeptidase 0.1007 0.6223 0.6018
Plasmodium vivax methionine aminopeptidase 1b, putative 0.1589 1 1
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.1589 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0206 0.1022 0.1022
Loa Loa (eye worm) metallopeptidase family M24 containing protein 0.0127 0.0514 0.0423
Plasmodium falciparum methionine aminopeptidase 1a, putative 0.1007 0.6223 0.6018
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.1007 0.6223 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0127 0.0514 0.4273
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0069 0.0134 0.0134
Echinococcus granulosus survival motor neuron protein 1 0.0236 0.1218 0.0742
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24, putative 0.0127 0.0514 0.0423
Brugia malayi Pax transcription factor protein 2 0.0263 0.1393 0.1393
Loa Loa (eye worm) hypothetical protein 0.0127 0.0514 0.0423
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0181 0.0863 0.0863
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.1589 1 1
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.1007 0.6223 1
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.1589 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0141 0.0604 0.5294
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0127 0.0514 0.4273
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0127 0.0514 0.4273
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0127 0.0514 0.4273
Loa Loa (eye worm) DNA-binding protein 0.0127 0.0514 0.0423
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0069 0.0134 0.0216
Leishmania major hypothetical protein, conserved 0.0582 0.3465 0.3111
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.1007 0.6223 1
Schistosoma mansoni proliferation-associated protein 2G4 38kDa (M24 family) 0.0127 0.0514 0.0825
Onchocerca volvulus Dipeptidase C homolog 0.0127 0.0514 0.3687
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0127 0.0514 0.4273
Brugia malayi metallopeptidase family M24 containing protein 0.0127 0.0514 0.0513
Plasmodium vivax methionine aminopeptidase 1a, putative 0.1007 0.6223 0.6018
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0127 0.0514 0.0384
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.1007 0.6223 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0206 0.1022 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0158 0.0064
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0127 0.0514 0.0423
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0133 0.0552 0.0041
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0127 0.0514 0.4273
Loa Loa (eye worm) phosphatidylinositol 3 0.0345 0.1924 0.1847
Loa Loa (eye worm) hypothetical protein 0.0127 0.0514 0.0423
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24, putative 0.0127 0.0514 0.0423
Mycobacterium ulcerans methionine aminopeptidase 0.1007 0.6223 1
Plasmodium vivax hypothetical protein, conserved 0.0582 0.3465 0.3111
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0091 0.028 0.1637
Brugia malayi metallopeptidase family M24 containing protein 0.0127 0.0514 0.0513
Chlamydia trachomatis methionine aminopeptidase 0.1007 0.6223 1
Loa Loa (eye worm) methionine aminopeptidase type I 0.1589 1 1
Giardia lamblia Xaa-Pro dipeptidase 0.0127 0.0514 1
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0127 0.0514 0.0423
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0127 0.0514 0.0825
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0127 0.0514 0.4273
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.1589 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0141 0.0604 0.5294
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.1007 0.6223 0.6018
Brugia malayi DNA-binding protein, 42 kDa containing protein 0.0127 0.0514 0.0513
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0206 0.1022 1
Trypanosoma brucei Facilitates chromatin transcription complex subunit spt16 0.0127 0.0514 0.0384
Schistosoma mansoni peptidase 0.0127 0.0514 0.0825

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 2270 nM Binding affinity against opioid receptor mu using [3H]-DAMGO as radioligand. ChEMBL. 1322987

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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