Detailed information for compound 251732

Basic information

Technical information
  • TDR Targets ID: 251732
  • Name: 3-benzhydrylidene-1-[3-[4-(3-chlorophenyl)pip erazin-1-yl]propyl]pyrrolidine-2,5-dione
  • MW: 500.031 | Formula: C30H30ClN3O2
  • H donors: 0 H acceptors: 2 LogP: 5.77 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1cccc(c1)N1CCN(CC1)CCCN1C(=O)CC(=C(c2ccccc2)c2ccccc2)C1=O
  • InChi: 1S/C30H30ClN3O2/c31-25-13-7-14-26(21-25)33-19-17-32(18-20-33)15-8-16-34-28(35)22-27(30(34)36)29(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-7,9-14,21H,8,15-20,22H2
  • InChiKey: LLGZHXKYLRDRCB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-benzhydrylidene-1-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]pyrrolidine-2,5-dione
  • 3-benzhydrylidene-1-[3-[4-(3-chlorophenyl)piperazino]propyl]pyrrolidine-2,5-quinone
  • 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[di(phenyl)methylidene]pyrrolidine-2,5-dione
  • 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[di(phenyl)methylene]pyrrolidine-2,5-dione
  • 1-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-3-[di(phenyl)methylene]pyrrolidine-2,5-dione
  • 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-[di(phenyl)methylene]pyrrolidine-2,5-quinone
  • SMR000161525
  • 1-{3-[4-(3-chlorophenyl)-1-piperazinyl]propyl}-3-(diphenylmethylene)-2,5-pyrrolidinedione
  • AP-685/41280744
  • MLS000538135

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Rattus norvegicus Adrenergic receptor alpha-1 Starlite/ChEMBL References
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Starlite/ChEMBL References
Homo sapiens arachidonate 15-lipoxygenase, type B Starlite/ChEMBL No references
Rattus norvegicus Dopamine D2 receptor Starlite/ChEMBL References
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum expressed protein Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma japonicum Octopamine receptor, putative Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133249 All targets in OG5_133249
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis serotonin receptor Get druggable targets OG5_133249 All targets in OG5_133249
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus granulosus biogenic amine 5HT receptor Get druggable targets OG5_133249 All targets in OG5_133249
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni biogenic amine (5HT) receptor Get druggable targets OG5_133249 All targets in OG5_133249
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis serotonin receptor Get druggable targets OG5_133249 All targets in OG5_133249
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Serotonin 1a (5-HT1a) receptor   422 aa 448 aa 29.7 %
Loa Loa (eye worm) TYRA-2 protein Serotonin 1a (5-HT1a) receptor   422 aa 491 aa 27.3 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Echinococcus multilocularis neuropeptides capa receptor Serotonin 1a (5-HT1a) receptor   422 aa 430 aa 20.0 %
Echinococcus multilocularis serotonin receptor Dopamine D2 receptor   444 aa 428 aa 31.3 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 426 aa 29.6 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma japonicum Octopamine receptor 1, putative Serotonin 1a (5-HT1a) receptor   422 aa 424 aa 24.3 %
Echinococcus granulosus biogenic amine 5HT receptor Dopamine D2 receptor   444 aa 429 aa 31.7 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 390 aa 33.6 %
Echinococcus granulosus g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 432 aa 24.3 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Serotonin 1a (5-HT1a) receptor   422 aa 339 aa 23.0 %
Echinococcus multilocularis g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 432 aa 23.6 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Serotonin 1a (5-HT1a) receptor   422 aa 444 aa 29.3 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Echinococcus granulosus orexin receptor type 2 Serotonin 1a (5-HT1a) receptor   422 aa 369 aa 22.0 %
Schistosoma mansoni amine GPCR Serotonin 1a (5-HT1a) receptor   422 aa 440 aa 31.6 %
Echinococcus multilocularis orexin receptor type 2 Serotonin 1a (5-HT1a) receptor   422 aa 369 aa 22.2 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 407 aa 23.3 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Serotonin 1a (5-HT1a) receptor   422 aa 410 aa 27.8 %
Schistosoma mansoni biogenic amine (dopamine) receptor Dopamine D2 receptor   444 aa 494 aa 26.3 %
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Dopamine D2 receptor   444 aa 487 aa 23.8 %
Schistosoma mansoni biogenic amine receptor Dopamine D2 receptor   444 aa 452 aa 30.1 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Serotonin 1a (5-HT1a) receptor   422 aa 477 aa 24.3 %
Loa Loa (eye worm) hypothetical protein Serotonin 1a (5-HT1a) receptor   422 aa 388 aa 26.5 %
Echinococcus granulosus alpha 1A adrenergic receptor Serotonin 1a (5-HT1a) receptor   422 aa 452 aa 21.0 %
Echinococcus granulosus g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 432 aa 23.4 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Onchocerca volvulus RB1-inducible coiled-coil protein 1 homolog Dopamine D2 receptor   444 aa 474 aa 23.4 %
Schistosoma japonicum Octopamine receptor, putative Dopamine D2 receptor   444 aa 456 aa 29.4 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Serotonin 1a (5-HT1a) receptor   422 aa 392 aa 20.7 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Serotonin 1a (5-HT1a) receptor   422 aa 383 aa 30.5 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Serotonin 1a (5-HT1a) receptor   422 aa 417 aa 21.1 %
Echinococcus multilocularis g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 433 aa 22.4 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 436 aa 23.9 %
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor Serotonin 1a (5-HT1a) receptor   422 aa 350 aa 20.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis lamin dm0 0.0033 0.0454 0.0431
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1136 0.2535
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1136 0.0963
Echinococcus granulosus biogenic amine 5HT receptor 0.0159 0.4241 0.6631
Echinococcus multilocularis serotonin receptor 0.0159 0.4241 0.6631
Echinococcus granulosus intermediate filament protein 0.0033 0.0454 0.0431
Loa Loa (eye worm) hypothetical protein 0.0159 0.4241 0.9464
Brugia malayi mbt repeat family protein 0.0058 0.1207 0.2694
Brugia malayi Ras protein let-60 0.0167 0.4481 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.3756 0.5838
Trichomonas vaginalis rap1 and, putative 0.0167 0.4481 0.5
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.1207 0.1663
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.1207 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.1447 0.3228
Brugia malayi hypothetical protein 0.0024 0.0191 0.0427
Echinococcus granulosus lamin dm0 0.0033 0.0454 0.0431
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0454 0.1014
Loa Loa (eye worm) doublecortin family protein 0.0024 0.0191 0.0427
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.1207 0.1035
Loa Loa (eye worm) hypothetical protein 0.0024 0.0191 0.0427
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.6298 1
Brugia malayi Doublecortin family protein 0.0024 0.0191 0.0427
Entamoeba histolytica Ras family GTPase 0.0167 0.4481 0.5
Trichomonas vaginalis dexras1, putative 0.0167 0.4481 0.5
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.1447 0.2056
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1136 0.0963
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1136 0.1547
Brugia malayi mbt repeat family protein 0.0058 0.1207 0.2694
Trichomonas vaginalis ras-dva small GTPase, putative 0.0167 0.4481 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.0191 0.0427
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.6298 1
Loa Loa (eye worm) hypothetical protein 0.0159 0.4241 0.9464
Loa Loa (eye worm) hypothetical protein 0.0167 0.4481 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0454 0.1014
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.1207 0.2694
Loa Loa (eye worm) hypothetical protein 0.0032 0.0437 0.0974
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.1447 0.128
Trichomonas vaginalis ral, putative 0.0167 0.4481 0.5
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.1207 0.1035
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.3756 0.5838
Onchocerca volvulus 0.0033 0.0454 0.2591
Entamoeba histolytica ras-1, putative 0.0167 0.4481 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1136 0.0963
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.1207 0.1663
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.1447 0.2056
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1136 0.2535
Echinococcus granulosus ras gtpase 0.0167 0.4481 0.7024
Brugia malayi Ras-related protein R-Ras2 0.0167 0.4481 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1136 0.1547
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.1447 0.3228
Plasmodium falciparum LCCL domain-containing protein 0.0024 0.0191 0.5
Trichomonas vaginalis rheb, putative 0.0167 0.4481 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1136 0.1547
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.1207 0.1035
Echinococcus multilocularis musashi 0.0033 0.0454 0.0431
Brugia malayi intermediate filament protein 0.0033 0.0454 0.1014
Schistosoma mansoni lamin 0.0033 0.0454 0.0268
Onchocerca volvulus 0.0058 0.1207 1
Echinococcus multilocularis serotonin receptor 0.0159 0.4241 0.6631
Onchocerca volvulus 0.0033 0.0454 0.2591
Loa Loa (eye worm) hypothetical protein 0.0058 0.1207 0.2694
Loa Loa (eye worm) MBCTL1 0.0066 0.1447 0.3228
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.1447 0.2056
Plasmodium vivax multidomain scavenger receptor, putative 0.0024 0.0191 0.5
Brugia malayi hypothetical protein 0.0024 0.0191 0.0427
Echinococcus multilocularis ras gtpase 0.0167 0.4481 0.7024
Loa Loa (eye worm) Ras protein let-60 0.0167 0.4481 1
Schistosoma mansoni intermediate filament proteins 0.0033 0.0454 0.0268
Schistosoma mansoni lipoxygenase 0.01 0.2468 0.2321
Schistosoma mansoni lamin 0.0033 0.0454 0.0268
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.1207 0.1663
Schistosoma mansoni lipoxygenase 0.0142 0.3756 0.3635
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1136 0.1547
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.1207 0.1663
Loa Loa (eye worm) hypothetical protein 0.0033 0.0454 0.1014
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0454 0.1014
Echinococcus granulosus lamin 0.0033 0.0454 0.0431
Trichomonas vaginalis GTP-binding protein rit, putative 0.0167 0.4481 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0159 0.4241 0.4128
Echinococcus multilocularis lamin 0.0033 0.0454 0.0431
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.1447 0.2056
Entamoeba histolytica Ras family GTPase 0.0167 0.4481 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 39 nM In vitro binding affinity was evaluated on alpha-1 adrenergic receptor from rat cerebral cortex by using [3H]-prazosin as radioligand ChEMBL. 9888831
Ki (binding) = 39 nM In vitro binding affinity was evaluated on alpha-1 adrenergic receptor from rat cerebral cortex by using [3H]-prazosin as radioligand ChEMBL. 9888831
Ki (binding) = 39.2 nM In vitro binding affinity against Alpha-1 adrenergic receptor in rat cerebral cortex membrane using [3H]-prazosin as radioligand ChEMBL. 9871564
Ki (binding) = 39.2 nM In vitro binding affinity against Alpha-1 adrenergic receptor in rat cerebral cortex membrane using [3H]-prazosin as radioligand ChEMBL. 9871564
Ki (binding) = 127 nM Binding affinity at 5-hydroxytryptamine 1A (5-HT1A) receptor in rat cerebral cortex using [3H]-8-OH-DPAT as radioligand ChEMBL. 9888831
Ki (binding) = 127 nM In vitro binding affinity against serotonin 5-HT1A receptor in rat cerebral cortex membrane using [3H]-8-OH-DPAT as radioligand ChEMBL. 9871564
Ki (binding) = 127 nM Binding affinity at 5-hydroxytryptamine 1A (5-HT1A) receptor in rat cerebral cortex using [3H]-8-OH-DPAT as radioligand ChEMBL. 9888831
Ki (binding) = 127 nM In vitro binding affinity against serotonin 5-HT1A receptor in rat cerebral cortex membrane using [3H]-8-OH-DPAT as radioligand ChEMBL. 9871564
Ki (binding) = 801 nM In vitro binding affinity towards Dopamine receptor D2 of rat striatal membranes using [3H]- raclopride ChEMBL. 9888831
Ki (binding) = 801 nM In vitro binding affinity against Dopamine receptor D2 in rat striatum membrane using [3H]-raclopride as radioligand ChEMBL. 9871564
Ki (binding) = 801 nM In vitro binding affinity towards Dopamine receptor D2 of rat striatal membranes using [3H]- raclopride ChEMBL. 9888831
Ki (binding) = 801 nM In vitro binding affinity against Dopamine receptor D2 in rat striatum membrane using [3H]-raclopride as radioligand ChEMBL. 9871564
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (binding) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6427 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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

2 literature references were collected for this gene.

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