Detailed information for compound 1647133

Basic information

Technical information
  • TDR Targets ID: 1647133
  • Name: 3-(azepan-1-yl)-8-(4-oxo-4-phenylbutyl)-3,8-d iazaspiro[4.5]decane-2,4-dione
  • MW: 411.537 | Formula: C24H33N3O3
  • H donors: 0 H acceptors: 3 LogP: 2.63 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CC2(C(=O)N1N1CCCCCC1)CCN(CC2)CCCC(=O)c1ccccc1
  • InChi: 1S/C24H33N3O3/c28-21(20-9-4-3-5-10-20)11-8-14-25-17-12-24(13-18-25)19-22(29)27(23(24)30)26-15-6-1-2-7-16-26/h3-5,9-10H,1-2,6-8,11-19H2
  • InChiKey: PKVGWESEWCDZAN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(azepan-1-yl)-8-(4-oxo-4-phenyl-butyl)-3,8-diazaspiro[4.5]decane-2,4-dione
  • 3-(1-azepanyl)-8-(4-oxo-4-phenylbutyl)-3,8-diazaspiro[4.5]decane-2,4-dione
  • 3-(azepan-1-yl)-8-(4-keto-4-phenyl-butyl)-3,8-diazaspiro[4.5]decane-2,4-quinone
  • 101607-42-5
  • NCI60_022759
  • 2-(1-Azepanyl)-8-(4-oxo-4-phenylbutyl)-2,8-diazaspiro[4.5]decane-1,3-dione
  • AIDS-143973
  • AIDS143973
  • NSC665776
  • 2,8-Diazaspiro(4.5)decane-1,3-dione, 8-(3-benzoylpropyl)-2-(1H-hexahydroazepin-1-yl)-
  • 8-(3-Benzoylpropyl)-2-(1-hexahydroazepinyl)-2,8-diazaspiro(4.5)decane-1,3-dione

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 phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0444 0.0473 0.0435
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0444 0.0473 0.0037
Echinococcus granulosus serine protein kinase ATM 0.1225 0.1729 0.1715
Trichomonas vaginalis PIKK family atypical protein kinase 0.4751 0.7395 0.7395
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0422 0.0438 0.0422
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2224 0.3334 0.3028
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0444 0.0473 0.0457
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0422 0.0438 0.0422
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.6372 1 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0444 0.0473 0.0051
Trichomonas vaginalis PIKK family atypical protein kinase 0.3457 0.5315 0.5315
Trichomonas vaginalis PIKK family atypical protein kinase 0.4751 0.7395 0.7395
Trichomonas vaginalis PIKK family atypical protein kinase 0.3809 0.5881 0.5881
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0422 0.0438 0.0342
Toxoplasma gondii target of rapamycin (TOR), putative 0.4751 0.7395 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0422 0.0438 0.0422
Trichomonas vaginalis conserved hypothetical protein 0.1365 0.1953 0.1953
Giardia lamblia GTOR 0.6372 1 1
Trypanosoma cruzi target of rapamycin kinase 3 0.5083 0.7928 0.7833
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0422 0.0438 0.0422
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0826 0.1087 0.105
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0634 0.0778 0.0356
Entamoeba histolytica hypothetical protein 0.1225 0.1729 0.1646
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0634 0.0778 0.0356
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0489 0.0545 0.0112
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0422 0.0438 0.0422
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0557 0.0655 0.0639
Schistosoma mansoni hypothetical protein 0.0422 0.0438 0.0399
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.6372 1 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.6372 1 1
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0942 0.1274 0.1259
Toxoplasma gondii non-specific serine/threonine protein kinase 0.1365 0.1953 0.2177
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.6372 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1237 0.1748 0.1748
Loa Loa (eye worm) phosphatidylinositol kinase 0.0422 0.0438 0.0422
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0634 0.0778 0.0686
Loa Loa (eye worm) phosphatidylinositol 3 0.0422 0.0438 0.0422
Trypanosoma brucei target of rapamycin kinase 3, putative 0.5083 0.7928 0.7833
Loa Loa (eye worm) hypothetical protein 0.0942 0.1274 0.1259
Trichomonas vaginalis PIKK family atypical protein kinase 0.1225 0.1729 0.1729
Trichomonas vaginalis PIKK family atypical protein kinase 0.4274 0.6629 0.6629
Trichomonas vaginalis PIKK family atypical protein kinase 0.4751 0.7395 0.7395
Trichomonas vaginalis PIKK family atypical protein kinase 0.4751 0.7395 0.7395
Trichomonas vaginalis PIKK family atypical protein kinase 0.4751 0.7395 0.7395
Echinococcus granulosus serine:threonine protein kinase SMG1 0.1225 0.1729 0.1715
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0444 0.0473 0.0435
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0444 0.0473 0.0037
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0707 0.0896 0.0881
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.1225 0.1729 0.135
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0521 0.0597 0.0166
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0634 0.0778 0.0778
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0557 0.0655 0.0639
Echinococcus multilocularis 0.0422 0.0438 0.0422
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.6372 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0422 0.0438 0.0422
Trichomonas vaginalis PIKK family atypical protein kinase 0.3457 0.5315 0.5315
Trichomonas vaginalis PIKK family atypical protein kinase 0.3462 0.5324 0.5324
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0192 0.0068 0.0051
Trichomonas vaginalis PIKK family atypical protein kinase 0.5078 0.792 0.792
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0803 0.105 0.064
Loa Loa (eye worm) phosphatidylinositol 3 0.0422 0.0438 0.0422
Loa Loa (eye worm) phosphatidylinositol 3 0.0422 0.0438 0.0422
Trichomonas vaginalis PIKK family atypical protein kinase 0.2168 0.3244 0.3244
Loa Loa (eye worm) hypothetical protein 0.1225 0.1729 0.1715
Leishmania major phosphatidylinositol 3-related kinase, putative 0.218 0.3263 0.2954
Toxoplasma gondii FATC domain-containing protein 0.1225 0.1729 0.1855
Entamoeba histolytica hypothetical protein 0.0422 0.0438 0.0342
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0489 0.0545 0.0112
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0444 0.0473 0.0378
Trichomonas vaginalis PIKK family atypical protein kinase 0.6372 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0566 0.0668 0.0668
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.2659 0.4033 0.3759
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0422 0.0438 0.0399
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.1237 0.1748 0.1665
Leishmania major phosphatidylinositol 3-kinase, putative 0.2168 0.3244 0.2934
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0444 0.0473 0.0457
Schistosoma mansoni hypothetical protein 0.0942 0.1274 0.1239
Onchocerca volvulus 0.0422 0.0438 0.5
Loa Loa (eye worm) hypothetical protein 0.0803 0.105 0.1035
Mycobacterium leprae conserved hypothetical protein 0.0422 0.0438 0.5
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0444 0.0473 0.0473
Trichomonas vaginalis PIKK family atypical protein kinase 0.2168 0.3244 0.3244
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.6372 1 1
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0826 0.1087 0.1072
Entamoeba histolytica hypothetical protein 0.0422 0.0438 0.0342
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0444 0.0473 0.0473
Trichomonas vaginalis PIKK family atypical protein kinase 0.4135 0.6405 0.6405
Loa Loa (eye worm) hypothetical protein 0.1289 0.1831 0.1817
Loa Loa (eye worm) phosphatidylinositol 3 0.0781 0.1015 0.1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0566 0.0668 0.0668
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.2168 0.3244 0.2934
Trichomonas vaginalis PIKK family atypical protein kinase 0.3789 0.5848 0.5848
Trichomonas vaginalis PIKK family atypical protein kinase 0.1711 0.251 0.251
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0444 0.0473 0.0457
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0467 0.051 0.0075
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.6372 1 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0489 0.0545 0.0506
Trichomonas vaginalis PIKK family atypical protein kinase 0.218 0.3263 0.3263
Trichomonas vaginalis PIKK family atypical protein kinase 0.6372 1 1
Entamoeba histolytica protein kinase rad3, putative 0.1225 0.1729 0.1646
Trichomonas vaginalis PIKK family atypical protein kinase 0.5078 0.792 0.792
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0422 0.0438 0.0422
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.3005 0.459 0.4342
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0444 0.0473 0.0037
Entamoeba histolytica hypothetical protein 0.0422 0.0438 0.0342
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0557 0.0655 0.0639
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0634 0.0778 0.0778
Loa Loa (eye worm) phosphatidylinositol 3 0.218 0.3263 0.3251
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0444 0.0473 0.0457
Trichomonas vaginalis PIKK family atypical protein kinase 0.6372 1 1
Echinococcus multilocularis Zinc finger, PHD finger 0.0444 0.0473 0.0457
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0444 0.0473 0.0457
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0444 0.0473 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.5429 0.8485 0.8485
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1225 0.1729 0.1715
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.218 0.3263 0.2954
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0489 0.0545 0.0545
Trichomonas vaginalis PIKK family atypical protein kinase 0.5078 0.792 0.792
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0444 0.0473 0.0378
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0942 0.1274 0.1259
Trichomonas vaginalis PIKK family atypical protein kinase 0.3462 0.5324 0.5324
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.1225 0.1729 0.135
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0422 0.0438 0.0438
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1225 0.1729 0.1715
Trichomonas vaginalis PIKK family atypical protein kinase 0.0422 0.0438 0.0438
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0444 0.0473 0.0473
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0489 0.0545 0.0529
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.6372 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0422 0.0438 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.4751 0.7395 0.7395
Trichomonas vaginalis PIKK family atypical protein kinase 0.3462 0.5324 0.5324
Trichomonas vaginalis conserved hypothetical protein 0.0803 0.105 0.105
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0707 0.0896 0.0881
Trichomonas vaginalis PIKK family atypical protein kinase 0.3462 0.5324 0.5324
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.1225 0.1729 0.1715
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0589 0.0707 0.0613
Trichomonas vaginalis PIKK family atypical protein kinase 0.4751 0.7395 0.7395
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.6372 1 1
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0444 0.0473 0.0037
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0422 0.0438 0.0438
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.1225 0.1729 0.1695
Loa Loa (eye worm) hypothetical protein 0.0422 0.0438 0.0422
Trichomonas vaginalis PIKK family atypical protein kinase 0.5078 0.792 0.792
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0422 0.0438 0.0399
Trichomonas vaginalis PIKK family atypical protein kinase 0.1225 0.1729 0.1729
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0489 0.0545 0.0545
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0634 0.0778 0.0778
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0826 0.1087 0.1072
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0444 0.0473 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0444 0.0473 0.0051
Trichomonas vaginalis PIKK family atypical protein kinase 0.3809 0.5881 0.5881
Trichomonas vaginalis conserved hypothetical protein 0.0942 0.1274 0.1274
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0634 0.0778 0.0763
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.5083 0.7928 0.7833
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0422 0.0438 0.0399
Trichomonas vaginalis PIKK family atypical protein kinase 0.3789 0.5848 0.5848
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0489 0.0545 0.0545
Trichomonas vaginalis PIKK family atypical protein kinase 0.0803 0.105 0.105
Entamoeba histolytica hypothetical protein 0.0589 0.0707 0.0613
Trichomonas vaginalis PIKK family atypical protein kinase 0.3457 0.5315 0.5315
Trichomonas vaginalis PIKK family atypical protein kinase 0.3809 0.5881 0.5881
Trichomonas vaginalis PIKK family atypical protein kinase 0.2168 0.3244 0.3244
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.2224 0.3334 0.3322
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.2224 0.3334 0.3322
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.6372 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0489 0.0545 0.045
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0489 0.0545 0.045
Echinococcus multilocularis serine protein kinase ATM 0.1225 0.1729 0.1715
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0513 0.0583 0.0489
Onchocerca volvulus 0.0422 0.0438 0.5
Loa Loa (eye worm) hypothetical protein 0.0557 0.0655 0.0639
Loa Loa (eye worm) hypothetical protein 0.1365 0.1953 0.1939
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.6372 1 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.0444 0.0473 0.0037
Leishmania major hypothetical protein, conserved 0.0523 0.0601 0.017
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2224 0.3334 0.3028
Trichomonas vaginalis PIKK family atypical protein kinase 0.0422 0.0438 0.0438
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.2224 0.3334 0.3322
Brugia malayi FAT domain containing protein 0.0942 0.1274 0.1259
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0422 0.0438 0.0422
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.1225 0.1729 0.135
Trichomonas vaginalis PIKK family atypical protein kinase 0.5078 0.792 0.792
Loa Loa (eye worm) phosphatidylinositol 3 0.6372 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.2168 0.3244 0.3244
Schistosoma mansoni fkbp-rapamycin associated protein 0.1225 0.1729 0.1695
Loa Loa (eye worm) phosphatidylinositol 3 0.0422 0.0438 0.0422
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.2224 0.3334 0.3306

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 MDA-N Breast 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 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 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 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 DU-145 Prostate 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

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.