Detailed information for compound 941263

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 411.681 | Formula: C17H17ClINO
  • H donors: 1 H acceptors: 1 LogP: 4.63 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCc2c(C(C1)c1ccc(cc1)[125I])cc(c(c2)Cl)O
  • InChi: 1S/C17H17ClINO/c1-20-7-6-12-8-16(18)17(21)9-14(12)15(10-20)11-2-4-13(19)5-3-11/h2-5,8-9,15,21H,6-7,10H2,1H3/i19-2
  • InChiKey: SFEBAZSWFKLMDP-GBVACIEGSA-N  

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 Dopamine D1 receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum 5-hydroxytryptamine receptor, putative Get druggable targets OG5_132667 All targets in OG5_132667
Schistosoma japonicum 5-hydroxytryptamine receptor 1, putative Get druggable targets OG5_132667 All targets in OG5_132667

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Dopamine D1 receptor   446 aa 366 aa 35.2 %
Schistosoma mansoni biogenic amine (5HT) receptor Dopamine D1 receptor   446 aa 394 aa 29.9 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Dopamine D1 receptor   446 aa 373 aa 25.5 %
Onchocerca volvulus Dopamine D1 receptor   446 aa 357 aa 21.0 %
Loa Loa (eye worm) hypothetical protein Dopamine D1 receptor   446 aa 370 aa 24.9 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Dopamine D1 receptor   446 aa 407 aa 33.7 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma cruzi cysteine proteinase, putative 0.0181 0.1042 0.2942
Onchocerca volvulus 0.0347 0.3065 0.6579
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0347 0.3065 1
Echinococcus granulosus cathepsin l1 0.0234 0.1686 0.531
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0347 0.3065 1
Entamoeba histolytica cysteine protease, putative 0.0347 0.3065 1
Entamoeba histolytica cysteine protease, putative 0.0181 0.1042 0.34
Brugia malayi Cathepsin L-like precursor 0.0347 0.3065 0.3065
Plasmodium vivax unspecified product 0.0181 0.1042 0.2893
Leishmania major cathepsin L-like protease 0.0347 0.3065 1
Leishmania major cathepsin L-like protease 0.0347 0.3065 1
Loa Loa (eye worm) hypothetical protein 0.0406 0.3782 0.3782
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0181 0.1042 0.3283
Echinococcus multilocularis serine threonine protein kinase 0.0178 0.1001 0.3154
Entamoeba histolytica cysteine protease, putative 0.0181 0.1042 0.34
Echinococcus multilocularis protein kinase c epsilon type 0.0356 0.3175 1
Entamoeba histolytica cysteine proteinase, putative 0.0181 0.1042 0.34
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0181 0.1042 0.34
Echinococcus multilocularis cathepsin L cysteine protease 0.0347 0.3065 0.9654
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0347 0.3065 0.9654
Loa Loa (eye worm) cysteine protease 0.0347 0.3065 0.3065
Echinococcus granulosus cathepsin L cysteine protease 0.0181 0.1042 0.3283
Brugia malayi cathepsin F-like cysteine proteinase 0.0113 0.0219 0.0219
Brugia malayi Hr1 repeat family protein 0.0356 0.3175 0.3175
Schistosoma mansoni atypical protein kinase C 0.0147 0.0629 0.1981
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0181 0.1042 0.3283
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0347 0.3065 1
Entamoeba histolytica cysteine protease, putative 0.0181 0.1042 0.34
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0347 0.3065 1
Brugia malayi Cathepsin L-like precursor 0.0234 0.1686 0.1686
Loa Loa (eye worm) ctsf protein 0.0347 0.3065 0.3065
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0347 0.3065 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0206 0.1343 0.4383
Brugia malayi Papain family cysteine protease containing protein 0.0181 0.1042 0.1042
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0347 0.3065 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0347 0.3065 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0347 0.3065 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0347 0.3065 1
Onchocerca volvulus 0.0347 0.3065 0.6579
Entamoeba histolytica cysteine protease, putative 0.0181 0.1042 0.34
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0229 0.163 0.5135
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0347 0.3065 0.9654
Leishmania major cathepsin L-like protease 0.0347 0.3065 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0347 0.3065 1
Brugia malayi Cathepsin L-like precursor 0.0234 0.1686 0.1686
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0347 0.3065 1
Leishmania major cathepsin L-like protease 0.0347 0.3065 1
Trypanosoma cruzi cysteine proteinase, putative 0.0181 0.1042 0.2942
Echinococcus granulosus cathepsin L cysteine proteinase 0.0347 0.3065 0.9654
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0347 0.3065 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0234 0.1686 0.55
Trypanosoma cruzi cysteine peptidase, putative 0.0347 0.3065 1
Schistosoma mansoni serine/threonine protein kinase 0.0356 0.3175 0.9999
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.021 0.1396 0.4397
Onchocerca volvulus 0.0347 0.3065 0.6579
Schistosoma mansoni serine/threonine protein kinase 0.0297 0.2449 0.7713
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.021 0.1396 0.4397
Loa Loa (eye worm) hypothetical protein 0.0128 0.0395 0.0395
Trypanosoma cruzi cysteine peptidase, putative 0.0347 0.3065 1
Entamoeba histolytica cysteine proteinase 2 0.0181 0.1042 0.34
Onchocerca volvulus 0.0406 0.3782 1
Toxoplasma gondii cathepsin B 0.0112 0.0199 0.0649
Echinococcus multilocularis cathepsin b 0.021 0.1396 0.4397
Echinococcus multilocularis cathepsin L cysteine protease 0.0347 0.3065 0.9654
Plasmodium vivax vivapain-3 0.0181 0.1042 0.2893
Brugia malayi cathepsin L-like precursor 0.0234 0.1686 0.1686
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0347 0.3065 1
Brugia malayi Papain family cysteine protease containing protein 0.0181 0.1042 0.1042
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0112 0.0199 0.0627
Leishmania major cathepsin L-like protease 0.0347 0.3065 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0113 0.0219 0.0219
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0347 0.3065 1
Echinococcus multilocularis serine:threonine protein kinase N2 0.0299 0.2471 0.7784
Brugia malayi Cathepsin L-like precursor 0.0347 0.3065 0.3065
Loa Loa (eye worm) hypothetical protein 0.021 0.1396 0.1396
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0347 0.3065 1
Schistosoma mansoni serine/threonine protein kinase 0.0229 0.163 0.5135
Echinococcus granulosus protein kinase c iota type 0.0147 0.0629 0.1981
Brugia malayi cathepsin B-like cysteine proteinase 0.021 0.1396 0.1396
Entamoeba histolytica cysteine proteinase, putative 0.0347 0.3065 1
Plasmodium vivax vivapain-1 0.0181 0.1042 0.2893
Echinococcus granulosus serine:threonine protein kinase N2 0.0356 0.3175 0.9999
Echinococcus granulosus serine:threonine protein kinase N2 0.0261 0.2014 0.6344
Schistosoma mansoni cathepsin F (C01 family) 0.0347 0.3065 0.9654
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0347 0.3065 1
Leishmania major cathepsin L-like protease 0.0347 0.3065 1
Entamoeba histolytica cysteine proteinase 1, putative 0.0181 0.1042 0.34
Onchocerca volvulus Cathepsin L homolog 0.0347 0.3065 0.6579
Echinococcus granulosus cathepsin b 0.021 0.1396 0.4397
Entamoeba histolytica cysteine protease, putative 0.0181 0.1042 0.34
Plasmodium vivax vivapain-2 0.0347 0.3065 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0347 0.3065 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0347 0.3065 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0347 0.3065 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0347 0.3065 1
Loa Loa (eye worm) fibroinase 0.0347 0.3065 0.3065
Entamoeba histolytica cysteine protease, putative 0.0181 0.1042 0.34
Brugia malayi Cathepsin L-like cysteine proteinase 0.0234 0.1686 0.1686
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0112 0.0199 0.0649
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0347 0.3065 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0347 0.3065 1
Trypanosoma cruzi cruzipain precursor, putative 0.0347 0.3065 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0234 0.1686 0.5188
Loa Loa (eye worm) hypothetical protein 0.0406 0.3782 0.3782
Onchocerca volvulus 0.0347 0.3065 0.6579
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0347 0.3065 1
Leishmania major cysteine peptidase A (CPA) 0.0347 0.3065 1
Brugia malayi Papain family cysteine protease containing protein 0.0347 0.3065 0.3065
Onchocerca volvulus 0.0297 0.2449 0.364
Echinococcus granulosus Protein kinase C brain isozyme 0.0229 0.163 0.5135
Entamoeba histolytica cysteine protease, putative 0.0181 0.1042 0.34
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0181 0.1042 0.3283
Onchocerca volvulus 0.0347 0.3065 0.6579
Trypanosoma cruzi cysteine peptidase, putative 0.0181 0.1042 0.2942
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0347 0.3065 1
Leishmania major cathepsin L-like protease 0.0347 0.3065 1
Loa Loa (eye worm) thyroid receptor interactor 0.0144 0.0597 0.0597
Loa Loa (eye worm) cathepsin B 0.0112 0.0199 0.0199
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0356 0.3175 0.3175
Echinococcus multilocularis serine:threonine protein kinase N2 0.0356 0.3175 0.9999
Loa Loa (eye worm) hypothetical protein 0.0347 0.3065 0.3065
Trypanosoma brucei cysteine peptidase C (CPC) 0.0112 0.0199 0.0649
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0181 0.1042 0.34
Echinococcus granulosus rho-associated protein kinase 1 0.0297 0.2449 0.7713
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0347 0.3065 0.3065
Toxoplasma gondii cathepsin CPL 0.0347 0.3065 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0347 0.3065 0.9654
Echinococcus granulosus cysteine protease 0.0181 0.1042 0.3283
Echinococcus granulosus protein kinase C gamma type 0.0178 0.1001 0.3154
Loa Loa (eye worm) hypothetical protein 0.0234 0.1686 0.1686
Echinococcus multilocularis cysteine protease 0.0347 0.3065 0.9654
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0347 0.3065 0.3065
Onchocerca volvulus 0.0347 0.3065 0.6579
Brugia malayi Cathepsin L-like precursor 0.0347 0.3065 0.3065
Schistosoma mansoni serine/threonine protein kinase 0.0356 0.3175 1
Onchocerca volvulus 0.0294 0.2416 0.3485
Loa Loa (eye worm) hypothetical protein 0.0234 0.1686 0.1686
Echinococcus multilocularis cysteine protease 0.0347 0.3065 0.9654
Entamoeba histolytica cysteine protease, putative 0.0181 0.1042 0.34
Loa Loa (eye worm) hypothetical protein 0.0406 0.3782 0.3782
Loa Loa (eye worm) hypothetical protein 0.0113 0.0219 0.0219
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0181 0.1042 0.34
Echinococcus multilocularis rho associated protein kinase 0.0297 0.2449 0.7713
Entamoeba histolytica cysteine proteinase, putative 0.0181 0.1042 0.34
Entamoeba histolytica cysteine proteinase, putative 0.0347 0.3065 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0347 0.3065 1
Entamoeba histolytica cysteine protease, putative 0.0181 0.1042 0.34
Brugia malayi Cathepsin L-like precursor 0.0113 0.0219 0.0219
Trypanosoma cruzi cysteine protease, putative 0.0181 0.1042 0.2942
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0181 0.1042 0.2942
Entamoeba histolytica cysteine protease, putative 0.0181 0.1042 0.34
Brugia malayi Cathepsin L-like precursor 0.0347 0.3065 0.3065
Echinococcus granulosus cathepsin b 0.021 0.1396 0.4397
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0347 0.3065 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0347 0.3065 1
Entamoeba histolytica cysteine proteinase, putative 0.0234 0.1686 0.55
Echinococcus multilocularis cathepsin b 0.021 0.1396 0.4397
Onchocerca volvulus 0.0347 0.3065 0.6579
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0234 0.1686 0.55
Loa Loa (eye worm) hypothetical protein 0.0458 0.4411 0.4411
Plasmodium vivax vivapain-2 0.0347 0.3065 1
Schistosoma mansoni cathepsin s 0.0113 0.0219 0.0689
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0347 0.3065 1
Echinococcus multilocularis serine:threonine protein kinase N2 0.0261 0.2014 0.6344
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.0918 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0181 0.1042 0.34
Loa Loa (eye worm) hypothetical protein 0.0113 0.0219 0.0219
Schistosoma mansoni cathepsin F (C01 family) 0.0234 0.1686 0.531
Brugia malayi Protein kinase c protein 2 0.0137 0.0502 0.0502
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.021 0.1396 0.4397
Onchocerca volvulus Cathepsin F homolog 0.0347 0.3065 0.6579
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0347 0.3065 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0347 0.3065 1
Echinococcus granulosus cathepsin l1 0.0347 0.3065 0.9654
Trypanosoma cruzi cysteine peptidase, putative 0.0347 0.3065 1
Brugia malayi protein kinase C II. 0.0356 0.3175 0.3175
Echinococcus granulosus protein kinase c epsilon type 0.0356 0.3175 1
Echinococcus multilocularis protein kinase c iota type 0.0147 0.0629 0.1981
Loa Loa (eye worm) hypothetical protein 0.0234 0.1686 0.1686
Brugia malayi Cathepsin L-like precursor 0.0347 0.3065 0.3065
Echinococcus multilocularis cathepsin L 0.0181 0.1042 0.3283
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0347 0.3065 1
Entamoeba histolytica cysteine protease, putative 0.0181 0.1042 0.34
Entamoeba histolytica cysteine proteinase, putative 0.0181 0.1042 0.34
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0347 0.3065 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.0219 0.0219
Loa Loa (eye worm) AGC/PKN protein kinase 0.0356 0.3175 0.3175
Leishmania major cathepsin L-like protease 0.0347 0.3065 1
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0113 0.0219 0.0219
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0347 0.3065 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0347 0.3065 1
Echinococcus granulosus serine:threonine protein kinase N2 0.0206 0.1343 0.4231
Onchocerca volvulus Cathepsin L homolog 0.0347 0.3065 0.6579
Entamoeba histolytica cysteine protease, putative 0.0181 0.1042 0.34
Trypanosoma cruzi cysteine peptidase, putative 0.0113 0.0219 0.0069
Giardia lamblia Cathepsin B precursor 0.0112 0.0199 0.5
Trypanosoma cruzi cruzipain precursor, putative 0.0113 0.0219 0.0069
Schistosoma mansoni cathepsin F (C01 family) 0.0347 0.3065 0.9654
Schistosoma mansoni serine/threonine protein kinase 0.0229 0.163 0.5135
Giardia lamblia Cathepsin B precursor 0.0112 0.0199 0.5
Giardia lamblia Cathepsin B precursor 0.0112 0.0199 0.5
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.021 0.1396 0.4177
Plasmodium falciparum cysteine proteinase falcipain 3 0.0347 0.3065 1
Entamoeba histolytica cysteine protease, putative 0.0181 0.1042 0.34
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0347 0.3065 1
Echinococcus granulosus cathepsin L 0.0181 0.1042 0.3283
Brugia malayi Fes/CIP4 homology domain containing protein 0.0144 0.0597 0.0597
Trypanosoma cruzi cysteine peptidase, putative 0.0347 0.3065 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0347 0.3065 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0347 0.3065 1
Loa Loa (eye worm) hypothetical protein 0.0502 0.4943 0.4943
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.021 0.1396 0.4397
Brugia malayi Cathepsin L-like precursor 0.0347 0.3065 0.3065
Entamoeba histolytica cysteine proteinase, putative 0.0181 0.1042 0.34
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0347 0.3065 1

Activities

Activity type Activity value Assay description Source Reference
Kd (binding) = 1.43 nM Compound was evaluated in vitro for the binding affinity to the rat striatal homogenate ChEMBL. 2525621

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.

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