Detailed information for compound 1687754

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 325.402 | Formula: C20H23NO3
  • H donors: 1 H acceptors: 1 LogP: 2.31 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc(c1)OC)CN1C2C3C4C1(O)C1C2C2C3CC4C12
  • InChi: 1S/C20H23NO3/c1-23-9-3-8(4-10(5-9)24-2)7-21-19-15-11-6-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h3-5,11-19,22H,6-7H2,1-2H3
  • InChiKey: QUMVESOWCHBEEV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Sigma opioid receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania braziliensis C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania mexicana C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma congolense C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania donovani C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania major C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma congolense C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Brugia malayi ERG2 and Sigma1 receptor like protein Get druggable targets OG5_131051 All targets in OG5_131051
Candida albicans sterol C8-C7 isomerase Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania infantum C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Candida albicans sterol C8-C7 isomerase Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma brucei gambiense C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma brucei C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
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
Trichomonas vaginalis set domain proteins, putative 0.023 0.4963 1
Plasmodium falciparum importin beta, putative 0.0028 0.0206 0.3683
Echinococcus granulosus para nitrobenzyl esterase 0.0022 0.007 0.0106
Schistosoma mansoni caspase-7 (C14 family) 0.0083 0.1502 0.2289
Brugia malayi jmjC domain containing protein 0.0057 0.0893 0.0893
Echinococcus granulosus importin subunit beta 1 0.0028 0.0206 0.0314
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0281 0.0281
Echinococcus granulosus BC026374 protein S09 family 0.0022 0.007 0.0106
Loa Loa (eye worm) hypothetical protein 0.0028 0.0206 0.0206
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.006 0.0949 0.1446
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0232 0.0353
Leishmania major importin beta-1 subunit, putative 0.0023 0.0082 0.0049
Loa Loa (eye worm) carboxylesterase 0.0022 0.007 0.007
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0131 0.2628 0.4004
Trypanosoma brucei metacaspase 0.0043 0.056 0.0529
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0232 0.0353
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0232 0.0353
Plasmodium vivax metacaspase 1, putative 0.0043 0.056 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0115 0.2245 0.3421
Loa Loa (eye worm) hypothetical protein 0.0098 0.1863 0.1863
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.056 0.107
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0033 0.0587
Loa Loa (eye worm) hypothetical protein 0.0043 0.056 0.056
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.006 0.0949 0.1446
Loa Loa (eye worm) hypothetical protein 0.0031 0.0281 0.0281
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0033 0.0033
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.006 0.0949 0.1446
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0281 0.0429
Echinococcus multilocularis apoptotic protease activating factor 1 0.004 0.0491 0.0748
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.056 0.107
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0043 0.056 0.056
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.056 0.107
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.1131 0.1131
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0033 0.005
Brugia malayi Carboxylesterase family protein 0.0022 0.007 0.007
Loa Loa (eye worm) carboxylesterase 0.0022 0.007 0.007
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.056 0.107
Schistosoma mansoni hypothetical protein 0.0164 0.341 0.5196
Loa Loa (eye worm) jmjC domain-containing protein 0.0057 0.0893 0.0893
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.056 0.107
Plasmodium falciparum metacaspase-like protein 0.0043 0.056 1
Schistosoma mansoni hypothetical protein 0.0067 0.1131 0.1723
Trypanosoma cruzi metacaspase, putative 0.0043 0.056 0.0529
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0082 0.01
Loa Loa (eye worm) hypothetical protein 0.0131 0.2628 0.2628
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0057 0.0893 0.1361
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0281 0.0429
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.1863 0.1863
Schistosoma mansoni ran 0.0021 0.0033 0.005
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0125 0.0093
Schistosoma mansoni hypothetical protein 0.0031 0.0281 0.0429
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0207 0.0315
Schistosoma mansoni acetylcholinesterase 0.0022 0.007 0.0106
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0043 0.056 1
Schistosoma mansoni caspase-7 (C14 family) 0.0114 0.2222 0.3386
Echinococcus multilocularis acetylcholinesterase 0.0131 0.2628 0.4004
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0052 0.0772 0.0772
Brugia malayi Pre-SET motif family protein 0.0202 0.4305 0.4305
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0445 1 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0033 0.5
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0114 0.2222 0.3386
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.056 0.107
Brugia malayi hypothetical protein 0.004 0.0491 0.0491
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0206 0.0174
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.056 0.107
Trypanosoma cruzi metacaspase 5, putative 0.0043 0.056 0.0529
Trypanosoma cruzi metacaspase, putative 0.0043 0.056 0.0529
Trypanosoma brucei metacaspase 5, putative 0.0043 0.056 0.0529
Echinococcus multilocularis caspase 0.0114 0.2222 0.3386
Onchocerca volvulus 0.0029 0.0232 0.0467
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0281 0.0281
Brugia malayi Cell death protein 3 precursor 0.0083 0.1502 0.1502
Schistosoma mansoni neuroligin 3 (S09 family) 0.0022 0.007 0.0106
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0082 0.01
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0125 0.2239
Trypanosoma cruzi metacaspase 5, putative 0.0043 0.056 0.0529
Trypanosoma brucei metacaspase MCA3 0.0043 0.056 0.0529
Schistosoma mansoni gliotactin 0.0022 0.007 0.0106
Echinococcus multilocularis para nitrobenzyl esterase 0.0022 0.007 0.0106
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0022 0.007 0.0106
Trichomonas vaginalis spcc417.12 protein, putative 0.0022 0.007 0.0074
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0206 0.0174
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.056 0.107
Loa Loa (eye worm) hypothetical protein 0.0029 0.0232 0.0232
Schistosoma mansoni lipoxygenase 0.0115 0.2245 0.3421
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.056 0.107
Echinococcus multilocularis GPCR, family 2 0.0031 0.0281 0.0429
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0232 0.0353
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.056 0.107
Echinococcus granulosus neuroligin 0.0022 0.007 0.0106
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.056 0.107
Echinococcus granulosus carboxylesterase 5A 0.0131 0.2628 0.4004
Schistosoma mansoni hypothetical protein 0.0298 0.6562 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0022 0.007 0.0106
Loa Loa (eye worm) hypothetical protein 0.0022 0.007 0.007
Echinococcus granulosus acetylcholinesterase 0.0131 0.2628 0.4004
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0125 0.0093
Loa Loa (eye worm) hypothetical protein 0.0022 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.0131 0.2628 0.2628
Leishmania major C-8 sterol isomerase-like protein 0.0445 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0281 0.0429
Loa Loa (eye worm) hypothetical protein 0.0227 0.4891 0.4891
Echinococcus multilocularis acetylcholinesterase 0.0131 0.2628 0.4004
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.006 0.0949 0.0949
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0281 0.0281
Echinococcus granulosus caspase 2 0.0083 0.1502 0.2289
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0281 0.0429
Echinococcus multilocularis geminin 0.0164 0.341 0.5196
Onchocerca volvulus Cell death protein 3 homolog 0.0083 0.1502 0.3026
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.056 0.107
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.1863 0.1863
Schistosoma mansoni lipoxygenase 0.008 0.1434 0.2185
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0043 0.056 1
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0082 0.01
Schistosoma mansoni hypothetical protein 0.004 0.0491 0.0748
Loa Loa (eye worm) hypothetical protein 0.004 0.0491 0.0491
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0232 0.0353
Echinococcus granulosus caspase 8 0.0043 0.056 0.0854
Brugia malayi Carboxylesterase family protein 0.0131 0.2628 0.2628
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.056 0.107
Loa Loa (eye worm) acetylcholinesterase 1 0.0131 0.2628 0.2628
Echinococcus granulosus GPCR family 2 0.0031 0.0281 0.0429
Leishmania major metacaspase, putative 0.0043 0.056 0.0529
Echinococcus granulosus lysine specific demethylase 5A 0.0057 0.0893 0.1361
Schistosoma mansoni BC026374 protein (S09 family) 0.0022 0.007 0.0106
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.056 0.107
Brugia malayi jmjC domain containing protein 0.0057 0.0893 0.0893
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0206 0.3288
Echinococcus granulosus snurportin 1 0.0298 0.6562 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0057 0.0893 0.1361
Brugia malayi Carboxylesterase family protein 0.0022 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.0022 0.007 0.007
Echinococcus granulosus geminin 0.0164 0.341 0.5196
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0125 0.0093
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0125 0.2239
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0033 0.0587
Echinococcus multilocularis neuroligin 0.0022 0.007 0.0106
Loa Loa (eye worm) hypothetical protein 0.0445 1 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0022 0.007 0.0074
Plasmodium vivax SET domain protein, putative 0.0029 0.0232 0.4133
Onchocerca volvulus 0.004 0.0491 0.0989
Echinococcus multilocularis snurportin 1 0.0298 0.6562 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.1131 0.1131
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0043 0.056 1
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0114 0.2222 0.3386
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0206 0.0314
Loa Loa (eye worm) carboxylesterase 0.0131 0.2628 0.2628
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0232 0.0353
Onchocerca volvulus 0.0022 0.007 0.014
Schistosoma mansoni hypothetical protein 0.0031 0.0281 0.0429
Brugia malayi RNA, U transporter 1 0.0079 0.1417 0.1417
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0232 0.3767
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0043 0.056 0.107
Schistosoma mansoni jumonji/arid domain-containing protein 0.0057 0.0893 0.1361
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0125 0.2239
Echinococcus multilocularis BC026374 protein (S09 family) 0.0022 0.007 0.0106
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.4305 0.4305
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0022 0.007 0.0106
Trypanosoma cruzi metacaspase, putative 0.0043 0.056 0.0529
Brugia malayi Carboxylesterase family protein 0.0022 0.007 0.007
Trypanosoma brucei metacaspase MCA2 0.0043 0.056 0.0529
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.006 0.0949 0.0919
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0232 0.0353
Echinococcus granulosus caspase 3 0.0071 0.1211 0.1846
Schistosoma mansoni caspase-3 (C14 family) 0.0114 0.2222 0.3386
Brugia malayi hypothetical protein 0.0025 0.0125 0.0125
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0033 0.005
Plasmodium vivax importin-beta 2, putative 0.0028 0.0206 0.3683
Loa Loa (eye worm) hypothetical protein 0.0022 0.007 0.007
Brugia malayi Importin beta-1 subunit 0.0028 0.0206 0.0206
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.006 0.0949 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0298 0.6562 0.6562
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0115 0.2245 0.3421
Echinococcus multilocularis caspase 8 0.0043 0.056 0.0854
Loa Loa (eye worm) hypothetical protein 0.0022 0.007 0.007
Echinococcus granulosus apoptotic protease activating factor 1 0.004 0.0491 0.0748
Loa Loa (eye worm) hypothetical protein 0.0025 0.0125 0.0125
Loa Loa (eye worm) hypothetical protein 0.0022 0.007 0.007
Schistosoma mansoni hypothetical protein 0.0031 0.0281 0.0429
Loa Loa (eye worm) hypothetical protein 0.0083 0.1502 0.1502
Schistosoma mansoni hypothetical protein 0.0164 0.341 0.5196
Echinococcus multilocularis caspase 2 0.0083 0.1502 0.2289
Echinococcus multilocularis caspase 3 0.0071 0.1211 0.1846
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0082 0.0049
Plasmodium falciparum metacaspase 1 0.0043 0.056 1
Onchocerca volvulus 0.0022 0.007 0.014
Brugia malayi Carboxylesterase family protein 0.0131 0.2628 0.2628
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0057 0.0893 0.1361
Onchocerca volvulus 0.0022 0.007 0.014
Echinococcus granulosus caspase 0.0114 0.2222 0.3386
Trypanosoma brucei C-8 sterol isomerase, putative 0.0445 1 1
Trypanosoma cruzi metacaspase, putative 0.0043 0.056 0.0529
Trypanosoma brucei Metacaspase-4 0.0043 0.056 0.0529
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0033 0.0033
Schistosoma mansoni importin beta-1 0.0028 0.0206 0.0314
Echinococcus multilocularis carboxylesterase 5A 0.0131 0.2628 0.4004
Onchocerca volvulus 0.0022 0.007 0.014
Schistosoma mansoni hypothetical protein 0.0031 0.0281 0.0429
Entamoeba histolytica hypothetical protein 0.0023 0.0082 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0022 0.007 0.0106
Onchocerca volvulus 0.0022 0.007 0.014
Echinococcus granulosus acetylcholinesterase 0.0131 0.2628 0.4004
Plasmodium vivax hypothetical protein, conserved 0.0043 0.056 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.006 0.0949 1
Onchocerca volvulus 0.023 0.4963 1
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0125 0.1755
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.006 0.0949 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.1863 0.1863
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0022 0.007 0.0106
Brugia malayi hypothetical protein 0.0022 0.007 0.007
Brugia malayi Pre-SET motif family protein 0.0029 0.0232 0.0232
Leishmania major hypothetical protein, conserved 0.0025 0.0125 0.0093
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0043 0.056 0.0854
Echinococcus multilocularis lysine specific demethylase 5A 0.0057 0.0893 0.1361
Schistosoma mansoni ran 0.0021 0.0033 0.005
Loa Loa (eye worm) hypothetical protein 0.0022 0.007 0.007
Schistosoma mansoni jumonji domain containing protein 0.0057 0.0893 0.1361
Brugia malayi Carboxylesterase family protein 0.0022 0.007 0.007

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) Binding affinity to NET ChEMBL. 22959245
Ki (binding) Binding affinity to Histamine H1 receptor ChEMBL. 22959245
Ki (binding) Binding affinity to D3 dopamine receptor ChEMBL. 22959245
Ki (binding) Binding affinity to 5-HT6 receptor ChEMBL. 22959245
Ki (binding) Binding affinity to alpha2A adrenergic receptor ChEMBL. 22959245
Ki (binding) Binding affinity to mu opioid receptor ChEMBL. 22959245
Ki (binding) Binding affinity to SERT ChEMBL. 22959245
Ki (binding) Binding affinity to M5 muscarinic receptor ChEMBL. 22959245
Ki (binding) Binding affinity to 5-HT1B receptor ChEMBL. 22959245
Ki (binding) Binding affinity to delta opioid receptor ChEMBL. 22959245
Ki (binding) Binding affinity to alpha1B adrenergic receptor ChEMBL. 22959245
Ki (binding) Binding affinity to 5-HT5A receptor ChEMBL. 22959245
Ki (binding) Binding affinity to M1 muscarinic receptor ChEMBL. 22959245
Ki (binding) Binding affinity to D5 dopamine receptor ChEMBL. 22959245
Ki (binding) Binding affinity to M3 muscarinic receptor ChEMBL. 22959245
Ki (binding) Binding affinity to 5-HT2A receptor ChEMBL. 22959245
Ki (binding) Binding affinity to alpha2C adrenergic receptor ChEMBL. 22959245
Ki (binding) Binding affinity to M4 muscarinic receptor ChEMBL. 22959245
Ki (binding) Binding affinity to alpha1A adrenergic ChEMBL. 22959245
Ki (binding) Binding affinity to M2 muscarinic receptor ChEMBL. 22959245
Ki (binding) Binding affinity to DAT ChEMBL. 22959245
Ki (binding) Binding affinity to 5-HT2C receptor ChEMBL. 22959245
Ki (binding) Binding affinity to D1 dopamine receptor ChEMBL. 22959245
Ki (binding) Binding affinity to kappa opioid receptor ChEMBL. 22959245
Ki (binding) Binding affinity to Histamine H3 receptor ChEMBL. 22959245
Ki (binding) Binding affinity to Histamine H2 receptor ChEMBL. 22959245
Ki (binding) Binding affinity to 5-HT7 receptor ChEMBL. 22959245
Ki (binding) Binding affinity to 5-HT2B receptor ChEMBL. 22959245
Ki (binding) Binding affinity to D2 dopamine receptor ChEMBL. 22959245
Ki (binding) = 610 nM Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor ChEMBL. 22959245

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

1 literature reference was collected for this gene.

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