Detailed information for compound 1094533

Basic information

Technical information
  • TDR Targets ID: 1094533
  • Name: N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4 -dihydropyrrolo[4,3-d]pyrazol-3-yl]pyridine-3 -carboxamide
  • MW: 341.408 | Formula: C18H23N5O2
  • H donors: 2 H acceptors: 4 LogP: 1.21 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(C)(C)C)N1Cc2c(C1(C)C)[nH]nc2NC(=O)c1cccnc1
  • InChi: 1S/C18H23N5O2/c1-17(2,3)16(25)23-10-12-13(18(23,4)5)21-22-14(12)20-15(24)11-7-6-8-19-9-11/h6-9H,10H2,1-5H3,(H2,20,21,22,24)
  • InChiKey: OOYUOUNLWCMZHC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[5-(2,2-dimethyl-1-oxopropyl)-6,6-dimethyl-1,4-dihydropyrrolo[4,3-d]pyrazol-3-yl]-3-pyridinecarboxamide
  • N-(6,6-dimethyl-5-pivaloyl-1,4-dihydropyrrolo[4,3-d]pyrazol-3-yl)nicotinamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cyclin A1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma mansoni cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus multilocularis cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi CYC2-like cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma brucei gambiense cyclin 6,mitotic cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Giardia lamblia G2/mitotic-specific cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania braziliensis CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Onchocerca volvulus Get druggable targets OG5_126649 All targets in OG5_126649
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Cryptosporidium hominis mitotic cyclin-CYC2 Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania infantum CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma congolense mitotic cyclin 6 Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania donovani cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania braziliensis cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania donovani CYC2-like cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Echinococcus granulosus cyclin B Get druggable targets OG5_126649 All targets in OG5_126649
Candida albicans likely G2 B-type cyclin similar to S. cerevisiae CLB1 (YPR119W) which is involved in mitotic induction Get druggable targets OG5_126649 All targets in OG5_126649
Candida albicans likely B-type cyclin similar to S. cerevisiae CLB4 (YLR210W) and CLB3 (YDL155W) involved in G1/S transition Get druggable targets OG5_126649 All targets in OG5_126649
Cryptosporidium parvum cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Brugia malayi Cyclin, N-terminal domain containing protein Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma congolense Cyclin, N-terminal domain/Cyclin, C-terminal domain containing protein, putative Get druggable targets OG5_126649 All targets in OG5_126649
Schistosoma japonicum ko:K05868 cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania mexicana CYC2-like cyclin, putative,cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi cyclin 6, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania mexicana cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma brucei mitotic cyclin 6 Get druggable targets OG5_126649 All targets in OG5_126649
Candida albicans hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclin B, putative Get druggable targets OG5_126649 All targets in OG5_126649
Brugia malayi Cyclin, N-terminal domain containing protein Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclins, putative Get druggable targets OG5_126649 All targets in OG5_126649
Leishmania major cyclin Get druggable targets OG5_126649 All targets in OG5_126649
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126649 All targets in OG5_126649
Entamoeba histolytica cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
Trichomonas vaginalis cyclin A, putative Get druggable targets OG5_126649 All targets in OG5_126649
Candida albicans likely G2 B-type cyclin similar to S. cerevisiae CLB1 (YPR119W) which is involved in mitotic induction Get druggable targets OG5_126649 All targets in OG5_126649
Trypanosoma cruzi cyclin, putative Get druggable targets OG5_126649 All targets in OG5_126649
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 cyclin b3 0.0021 0.0185 0.0036
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0075 0.2117 0.1997
Echinococcus multilocularis sterol regulatory element binding protein 0.0088 0.2589 0.2476
Schistosoma mansoni cyclin B3 0.0021 0.0185 0.0052
Onchocerca volvulus 0.0051 0.1272 1
Trypanosoma cruzi cyclic nucleotide phosphodiesterase 0.0238 0.8041 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0086 0.2534 1
Echinococcus multilocularis protein dispatched 1 0.01 0.3038 0.2933
Trypanosoma cruzi cyclin, putative 0.0051 0.1272 0.1422
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0086 0.2534 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0208 0.6934 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0086 0.2534 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0086 0.2534 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.1253 0.1825
Chlamydia trachomatis DNA ligase 0.002 0.015 0.0462
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.067 0.0968
Echinococcus multilocularis peptidase Clp (S14 family) 0.0057 0.1457 0.1327
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0246 0.0847
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0246 0.0403
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.003 0.0485 0.1805
Loa Loa (eye worm) hypothetical protein 0.0205 0.682 1
Echinococcus granulosus cyclin B3 1 0.0021 0.0185 0.0036
Schistosoma mansoni hypothetical protein 0.0165 0.5392 0.7727
Echinococcus granulosus Niemann Pick C1 protein 0.0205 0.682 0.6771
Leishmania major hypothetical protein, conserved 0.0238 0.8041 1
Entamoeba histolytica hypothetical protein 0.0075 0.2117 0.2949
Plasmodium falciparum cyclin 0.0021 0.0185 0.0604
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0238 0.8041 1
Trichomonas vaginalis cyclin B, putative 0.0021 0.0185 0.0145
Leishmania major hypothetical protein, conserved 0.0026 0.0341 0.0123
Brugia malayi Cyclin, N-terminal domain containing protein 0.0021 0.0185 0.0256
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0246 0.1687
Onchocerca volvulus 0.0023 0.0246 0.0857
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.002 0.015 0.0204
Schistosoma mansoni hypothetical protein 0.0085 0.2474 0.3426
Echinococcus granulosus cyclins 0.0021 0.0185 0.0036
Entamoeba histolytica cyclin family protein 0.0021 0.0185 0.0053
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0034 0.0234
Schistosoma mansoni patched 1 0.0088 0.2589 0.3595
Trypanosoma cruzi CYC2-like cyclin, putative 0.0051 0.1272 0.1422
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0246 0.0345
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0088 0.2589 0.3765
Echinococcus multilocularis Niemann Pick C1 protein 0.0205 0.682 0.6771
Echinococcus granulosus geminin 0.0165 0.5392 0.5322
Echinococcus granulosus cyclins 0.0021 0.0185 0.0036
Schistosoma mansoni cyclins 0.0021 0.0185 0.0052
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0051 0.1272 0.1316
Echinococcus multilocularis muscleblind protein 0.0165 0.5378 0.5308
Loa Loa (eye worm) hypothetical protein 0.0051 0.1253 0.1797
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0086 0.2534 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0246 0.0345
Brugia malayi hypothetical protein 0.0075 0.2117 0.3093
Giardia lamblia Cyclin A 0.0021 0.0185 0.0316
Echinococcus multilocularis Niemann Pick C1 protein 0.0292 1 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0086 0.2534 0.242
Echinococcus granulosus peptidase Clp S14 family 0.0057 0.1457 0.1327
Echinococcus multilocularis muscleblind protein 1 0.0165 0.5378 0.5308
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0021 0.0185 0.0036
Loa Loa (eye worm) hypothetical protein 0.0165 0.5378 0.7876
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0086 0.2534 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0057 0.1457 1
Trichomonas vaginalis cyclin B, putative 0.0051 0.1272 0.4599
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0086 0.2534 0.242
Loa Loa (eye worm) hypothetical protein 0.0108 0.3305 0.482
Echinococcus granulosus cyclins 0.0021 0.0185 0.0036
Brugia malayi Probable ClpP-like protease 0.0086 0.2534 0.3706
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0185 0.0145
Echinococcus granulosus muscleblind protein 0.0165 0.5378 0.5308
Loa Loa (eye worm) hypothetical protein 0.0023 0.0246 0.0312
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0057 0.1457 0.5484
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0057 0.1457 1
Entamoeba histolytica hypothetical protein 0.0075 0.2117 0.2949
Schistosoma mansoni hypothetical protein 0.0075 0.2117 0.2899
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0246 0.0144
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0246 0.0847
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0205 0.682 1
Trichomonas vaginalis cyclin B3, putative 0.0021 0.0185 0.0145
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0246 0.0847
Brugia malayi hypothetical protein 0.002 0.015 0.0204
Toxoplasma gondii hypothetical protein 0.003 0.0485 0.1408
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0246 0.0847
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0086 0.2534 1
Trichomonas vaginalis cyclins, putative 0.0051 0.1272 0.4599
Entamoeba histolytica cyclin, putative 0.0051 0.1272 0.1682
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0246 0.1687
Entamoeba histolytica cyclin family protein 0.0021 0.0185 0.0053
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0246 0.0847
Loa Loa (eye worm) hypothetical protein 0.0086 0.2534 0.3684
Trypanosoma cruzi cyclin, putative 0.0051 0.1272 0.1422
Trichomonas vaginalis cyclin B, putative 0.0051 0.1272 0.4599
Loa Loa (eye worm) hypothetical protein 0.002 0.015 0.017
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0341 0.1229
Loa Loa (eye worm) hypothetical protein 0.0026 0.0341 0.0453
Loa Loa (eye worm) hypothetical protein 0.002 0.015 0.017
Brugia malayi CHE-14 protein 0.0088 0.2589 0.3787
Giardia lamblia G2/mitotic-specific cyclin B 0.0051 0.1272 1
Echinococcus multilocularis cyclin B 0.0051 0.1272 0.1139
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0246 0.0403
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0246 0.0144
Trichomonas vaginalis cyclin A, putative 0.0051 0.1272 0.4599
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.003 0.0485 0.1408
Brugia malayi topoisomerase 0.002 0.015 0.0204
Echinococcus multilocularis cyclin B3 1 0.0021 0.0185 0.0036
Schistosoma mansoni cyclin B 0.0051 0.1272 0.1654
Brugia malayi DKFZp564C0469 protein 0.002 0.015 0.0204
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0021 0.0185 0.0036
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0086 0.2534 1
Schistosoma mansoni hypothetical protein 0.0085 0.2474 0.3426
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0341 0.0243
Loa Loa (eye worm) hypothetical protein 0.0165 0.5378 0.7876
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0246 0.0345
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0341 0.0804
Echinococcus granulosus Protein patched homolog 1 0.0088 0.2589 0.2476
Loa Loa (eye worm) cyclin domain-containing protein 0.0021 0.0185 0.0223
Echinococcus multilocularis cyclins 0.0021 0.0185 0.0036
Entamoeba histolytica hypothetical protein 0.0075 0.2117 0.2949
Giardia lamblia Hypothetical protein 0.0021 0.0185 0.0316
Trichomonas vaginalis cyclin B, putative 0.0051 0.1272 0.4599
Loa Loa (eye worm) hypothetical protein 0.0088 0.2589 0.3765
Echinococcus granulosus cyclins 0.0021 0.0185 0.0036
Trichomonas vaginalis cyclins, putative 0.0051 0.1272 0.4599
Loa Loa (eye worm) hypothetical protein 0.0023 0.0246 0.0312
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.003 0.0485 0.1408
Schistosoma mansoni transcription factor LCR-F1 0.0075 0.2117 0.2899
Echinococcus granulosus cyclin B 0.0051 0.1272 0.1139
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0086 0.2534 1
Schistosoma mansoni hypothetical protein 0.0165 0.5392 0.7727
Trichomonas vaginalis cyclins, putative 0.0035 0.0682 0.2184
Schistosoma mansoni hypothetical protein 0.0035 0.067 0.0766
Brugia malayi Niemann-Pick C1 protein precursor 0.0205 0.682 1
Schistosoma mansoni hypothetical protein 0.0085 0.2474 0.3426
Plasmodium falciparum replication factor C subunit 1, putative 0.002 0.015 0.0462
Echinococcus multilocularis cyclins 0.0021 0.0185 0.0036
Loa Loa (eye worm) hypothetical protein 0.0051 0.1272 0.1824
Loa Loa (eye worm) hypothetical protein 0.003 0.0495 0.0679
Echinococcus granulosus cyclins 0.0021 0.0185 0.0036
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.1253 0.1825
Echinococcus multilocularis cyclins 0.0021 0.0185 0.0036
Trichomonas vaginalis cyclin B, putative 0.0051 0.1272 0.4599
Schistosoma mansoni peptidase Clp (S14 family) 0.0086 0.2534 0.3514
Echinococcus multilocularis cyclins 0.0021 0.0185 0.0036
Trichomonas vaginalis cyclin D, putative 0.0021 0.0185 0.0145
Mycobacterium ulcerans hypothetical protein 0.0023 0.0246 0.0847
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0086 0.2534 1
Echinococcus multilocularis cyclins 0.0021 0.0185 0.0036
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0341 0.0243
Schistosoma mansoni hypothetical protein 0.0085 0.2474 0.3426
Trypanosoma cruzi cyclin 6, putative 0.0051 0.1272 0.1422
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.1253 0.1797
Echinococcus multilocularis protein patched 0.0088 0.2589 0.2476
Echinococcus multilocularis cyclins 0.0021 0.0185 0.0036
Entamoeba histolytica cyclin, putative 0.0021 0.0185 0.0053
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0341 0.1229
Loa Loa (eye worm) hypothetical protein 0.002 0.015 0.017
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0246 0.0847
Echinococcus granulosus expressed conserved protein 0.0192 0.637 0.6315
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.003 0.0485 0.1805
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0246 0.0144
Trichomonas vaginalis cyclins, putative 0.0021 0.0185 0.0145
Brugia malayi hypothetical protein 0.002 0.015 0.0204
Loa Loa (eye worm) hypothetical protein 0.0023 0.0246 0.0312
Echinococcus multilocularis geminin 0.0165 0.5392 0.5322
Loa Loa (eye worm) hypothetical protein 0.002 0.015 0.017
Trichomonas vaginalis cyclin D, putative 0.0021 0.0185 0.0145
Brugia malayi Cyclin, N-terminal domain containing protein 0.0051 0.1272 0.1852
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0086 0.2534 1
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0341 0.1229
Trichomonas vaginalis cyclins, putative 0.0051 0.1272 0.4599
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.002 0.015 0.0462
Loa Loa (eye worm) hypothetical protein 0.0051 0.1272 0.1824
Trypanosoma brucei mitotic cyclin 6 0.0051 0.1272 0.1422
Leishmania major cyclin 0.0051 0.1272 0.1316
Echinococcus multilocularis expressed conserved protein 0.0192 0.637 0.6315
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0075 0.2117 0.1997
Brugia malayi hypothetical protein 0.0026 0.0341 0.0485
Echinococcus granulosus sterol regulatory element binding protein 0.0088 0.2589 0.2476
Brugia malayi Muscleblind-like protein 0.0165 0.5378 0.7883
Brugia malayi Cyclin, N-terminal domain containing protein 0.0051 0.1272 0.1852
Trichomonas vaginalis conserved hypothetical protein 0.0088 0.2589 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.067 0.0936
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0246 0.0847
Trichomonas vaginalis cyclins, putative 0.0051 0.1272 0.4599
Plasmodium vivax replication factor C subunit 1, putative 0.002 0.015 0.0462
Loa Loa (eye worm) hypothetical protein 0.002 0.015 0.017
Echinococcus multilocularis cyclin b3 0.0021 0.0185 0.0036
Entamoeba histolytica hypothetical protein 0.0075 0.2117 0.2949
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0341 0.0243
Echinococcus multilocularis cyclins 0.0021 0.0185 0.0036
Brugia malayi Pax transcription activation domain interacting protein 0.002 0.015 0.0204
Loa Loa (eye worm) hypothetical protein 0.002 0.015 0.017

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.05 uM Inhibition of human CDK2/cyclin A expressed in Escherichia coli BL21 by scintillation proximity assay ChEMBL. 20153204
IC50 (functional) = 0.69 uM Antiproliferative activity against human A2780 cells after 72 hrs by fluorescence assay ChEMBL. 20153204

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 20153204

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

1 literature reference was collected for this gene.

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