Detailed information for compound 1609018

Basic information

Technical information
  • TDR Targets ID: 1609018
  • Name: 2-acetamido-6-amino-N-(phenylmethyl)hexanamid e
  • MW: 277.362 | Formula: C15H23N3O2
  • H donors: 3 H acceptors: 2 LogP: 0.55 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCCCC(C(=O)NCc1ccccc1)NC(=O)C
  • InChi: 1S/C15H23N3O2/c1-12(19)18-14(9-5-6-10-16)15(20)17-11-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-11,16H2,1H3,(H,17,20)(H,18,19)
  • InChiKey: YPNZVOZZUZERMK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-acetamido-6-amino-N-(benzyl)hexanamide
  • 2-(Acetylamino)-6-amino-N-benzylhexanamide
  • NCI60_014760
  • AIDS160670
  • NSC643529
  • AIDS-160670

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
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.024 0.2561 0.2898
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0187 0.1817 0.3601
Trichomonas vaginalis PIKK family atypical protein kinase 0.0116 0.0813 0.163
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0061 0.0034 0.0068
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0061 0.0034 0.0034
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0152 0.1323 0.2603
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0285 0.3203 0.6424
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0122 0.09 0.1805
Trichomonas vaginalis PIKK family atypical protein kinase 0.0095 0.051 0.1023
Trichomonas vaginalis PIKK family atypical protein kinase 0.0124 0.0916 0.1837
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0078 0.0274 0.207
Brugia malayi Raf kinase 0.0408 0.4946 0.9921
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0143 0.1197 0.9047
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0143 0.1197 0.2401
Trichomonas vaginalis PIKK family atypical protein kinase 0.0152 0.1323 0.2653
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0061 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.0142 0.117 0.1324
Trichomonas vaginalis PIKK family atypical protein kinase 0.0116 0.0813 0.163
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0354 0.4178 0.8381
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.0374 0.4464 0.4464
Trichomonas vaginalis PIKK family atypical protein kinase 0.0124 0.0916 0.1837
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0152 0.1323 1
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0061 0.0034 0.0068
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0061 0.0034 0.0068
Trichomonas vaginalis PIKK family atypical protein kinase 0.0116 0.0813 0.163
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0152 0.1323 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0116 0.0813 0.163
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.039 0.4689 0.94
Echinococcus multilocularis raf serine:threonine protein kinase 0.0423 0.5155 0.5155
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0124 0.0917 0.6934
Trichomonas vaginalis PIKK family atypical protein kinase 0.0116 0.0813 0.163
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.0374 0.4464 0.5
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0411 0.4986 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0152 0.1323 0.2653
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0152 0.1323 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0088 0.0407 0.0817
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0143 0.1197 0.2348
Trichomonas vaginalis PIKK family atypical protein kinase 0.0116 0.0813 0.163
Loa Loa (eye worm) TTK protein kinase 0.0374 0.4464 0.5052
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.0625 0.1253
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0061 0.0034 0.0257
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0285 0.3203 0.6424
Echinococcus granulosus raf serine:threonine protein kinase 0.0423 0.5155 0.5155
Trichomonas vaginalis PIKK family atypical protein kinase 0.0124 0.0916 0.1837
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0152 0.1323 0.2653
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0061 0.0034 0.0068
Leishmania major phosphatidylinositol 3-kinase, putative 0.0061 0.0034 0.0257
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0152 0.1323 0.1323
Trichomonas vaginalis PIKK family atypical protein kinase 0.0088 0.0407 0.0817
Schistosoma mansoni serine/threonine protein kinase 0.0423 0.5155 0.5155
Trichomonas vaginalis PIKK family atypical protein kinase 0.0088 0.0406 0.0814
Loa Loa (eye worm) phosphatidylinositol 3 0.0122 0.09 0.1018
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0061 0.0034 0.0034
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0061 0.0034 0.0039
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0765 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0143 0.1197 0.2401
Loa Loa (eye worm) hypothetical protein 0.0269 0.298 0.3372
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0152 0.1323 0.1323
Trichomonas vaginalis PIKK family atypical protein kinase 0.0096 0.0522 0.1047
Loa Loa (eye worm) raf kinase 0.0421 0.5126 0.5801
Echinococcus multilocularis dual specificity serine:threonine tyrosine 0.0374 0.4464 0.4464
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0061 0.0034 0.5
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0143 0.1197 0.2401
Loa Loa (eye worm) phosphatidylinositol 3 0.0152 0.1323 0.1497
Giardia lamblia GTOR 0.0152 0.1323 0.182
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0411 0.4986 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0143 0.1197 0.2348
Trichomonas vaginalis PIKK family atypical protein kinase 0.0124 0.0916 0.1837
Trichomonas vaginalis PIKK family atypical protein kinase 0.0095 0.051 0.1023
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0061 0.0034 0.0068
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0152 0.1323 0.2653
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0269 0.298 0.5977
Trichomonas vaginalis CAMK family protein kinase 0.0374 0.4464 0.8955
Giardia lamblia Kinase, TTK 0.0374 0.4464 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0096 0.0522 0.1047
Toxoplasma gondii target of rapamycin (TOR), putative 0.0116 0.0813 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0132 0.1032 0.207
Trypanosoma cruzi target of rapamycin kinase 3 0.0124 0.0917 0.184
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.0668 0.1339
Entamoeba histolytica hypothetical protein 0.0329 0.3823 0.7652
Trichomonas vaginalis CAMK family protein kinase 0.0374 0.4464 0.8955
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0143 0.1197 0.1197
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0061 0.0034 0.0257
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0152 0.1323 0.1323
Trichomonas vaginalis PIKK family atypical protein kinase 0.0088 0.0407 0.0817
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0152 0.1323 0.2603
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0061 0.0034 0.0034
Trichomonas vaginalis PIKK family atypical protein kinase 0.0088 0.0406 0.0814
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0061 0.0034 0.0034
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0152 0.1323 0.2653
Echinococcus multilocularis Zinc finger, PHD finger 0.0061 0.0034 0.0034
Trichomonas vaginalis PIKK family atypical protein kinase 0.0124 0.0916 0.1837
Loa Loa (eye worm) phosphatidylinositol 3 0.0683 0.8837 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0096 0.0522 0.1047
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0411 0.4986 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0411 0.4986 1
Brugia malayi Protein kinase domain containing protein 0.0374 0.4464 0.8955
Trichomonas vaginalis PIKK family atypical protein kinase 0.0116 0.0813 0.163
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0411 0.4986 1
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0269 0.298 0.298
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0061 0.0034 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0088 0.0407 0.0817
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0329 0.3823 0.7652
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0152 0.1323 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0765 1 1
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0203 0.204 0.3687
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0143 0.1197 0.2401
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0124 0.0917 0.6934
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0411 0.4986 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.007 0.0159 0.1204
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0061 0.0034 0.0068
Trichomonas vaginalis PIKK family atypical protein kinase 0.0152 0.1323 0.2653
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0269 0.298 0.298
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0143 0.1197 0.2401
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.0374 0.4464 0.4464
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0411 0.4986 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0088 0.0406 0.0814

Activities

Activity type Activity value Assay description Source 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 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 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 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 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.

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