Detailed information for compound 1763393

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 285.424 | Formula: C19H27NO
  • H donors: 1 H acceptors: 1 LogP: 4.37 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CC[C@]2([C@@]3(C1CCCC3Cc1c2ccc(c1)O)C)C
  • InChi: 1S/C19H27NO/c1-18-9-10-20(3)17-6-4-5-14(19(17,18)2)11-13-12-15(21)7-8-16(13)18/h7-8,12,14,17,21H,4-6,9-11H2,1-3H3/t14?,17?,18-,19+/m1/s1
  • InChiKey: JOMWFIDLECFQFC-CTVCJKGISA-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
Onchocerca volvulus 0.0274 0.1362 1
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0078 0.0245 0.0245
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.1792 1 1
Schistosoma mansoni isocitrate dehydrogenase 0.0078 0.0245 0.0245
Trypanosoma brucei protein kinase, putative 0.1792 1 1
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0078 0.0245 0.0245
Trichomonas vaginalis set domain proteins, putative 0.0274 0.1362 0.1145
Schistosoma mansoni unc-13 (munc13) 0.0078 0.0245 0.0245
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.1792 1 1
Trichomonas vaginalis CMGC family protein kinase 0.1792 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0241 0.1173 0.1173
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0638 0.3437 0.3437
Entamoeba histolytica tartrate dehydrogenase, putative 0.0078 0.0245 0.5
Schistosoma mansoni lipoxygenase 0.0136 0.058 0.058
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.1792 1 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.1792 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0638 0.3437 0.3437
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0078 0.0245 0.0245
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0078 0.0245 0.0245
Loa Loa (eye worm) hypothetical protein 0.0078 0.0245 0.0245
Echinococcus multilocularis isocitrate dehydrogenase 0.0638 0.3437 0.3437
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0078 0.0245 0.0245
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.1792 1 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0638 0.3437 1
Echinococcus multilocularis mitogen activated protein kinase 0.1792 1 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0136 0.058 0.058
Echinococcus multilocularis mitogen activated protein kinase 3 0.1792 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0638 0.3437 0.3437
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0638 0.3437 0.3437
Brugia malayi Pre-SET motif family protein 0.0241 0.1173 0.1173
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0638 0.3437 0.3437
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0638 0.3437 0.3437
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.1792 1 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.1792 1 1
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0078 0.0245 0.0245
Brugia malayi Isocitrate dehydrogenase 0.0638 0.3437 0.3437
Brugia malayi Probable isocitrate dehydrogenase 0.0078 0.0245 0.0245
Trichomonas vaginalis CMGC family protein kinase 0.1792 1 1
Brugia malayi isocitrate dehydrogenase 0.0638 0.3437 0.3437
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.1792 1 1
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0078 0.0245 0.5
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.1792 1 1
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0078 0.0245 0.0245
Giardia lamblia Kinase, CMGC MAPK 0.1792 1 0.5
Echinococcus granulosus mitogen activated protein kinase 3 0.1792 1 1
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0078 0.0245 0.0245
Trichomonas vaginalis CMGC family protein kinase 0.1792 1 1
Brugia malayi Probable isocitrate dehydrogenase 0.0078 0.0245 0.0245
Schistosoma mansoni serine/threonine protein kinase 0.1792 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0638 0.3437 0.3437
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0078 0.0245 0.0245
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.0078 0.0245 0.5
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0638 0.3437 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0638 0.3437 0.5
Mycobacterium ulcerans 3-isopropylmalate dehydrogenase 0.0078 0.0245 0.5
Schistosoma mansoni lipoxygenase 0.0095 0.0346 0.0346
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0638 0.3437 0.3272
Echinococcus granulosus mitogen activated protein kinase 0.1792 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0638 0.3437 0.3437
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0136 0.058 0.058
Trichomonas vaginalis CMGC family protein kinase 0.1792 1 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0638 0.3437 0.3437

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.035 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) -4 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) -4 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) -4 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) -4 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) -4 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) -4 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) -4 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) -4 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

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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