Detailed information for compound 437756

Basic information

Technical information
  • TDR Targets ID: 437756
  • Name: methyl 4-[[[6-cyano-1-[(3-methylimidazol-4-yl )methyl]-3,4-dihydro-2H-quinolin-3-yl]-pyridi n-2-ylsulfonylamino]methyl]piperidine-1-carbo xylate
  • MW: 563.671 | Formula: C28H33N7O4S
  • H donors: 0 H acceptors: 6 LogP: 2.24 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: COC(=O)N1CCC(CC1)CN(S(=O)(=O)c1ccccn1)C1CN(Cc2cncn2C)c2c(C1)cc(cc2)C#N
  • InChi: 1S/C28H33N7O4S/c1-32-20-30-16-25(32)19-34-18-24(14-23-13-22(15-29)6-7-26(23)34)35(40(37,38)27-5-3-4-10-31-27)17-21-8-11-33(12-9-21)28(36)39-2/h3-7,10,13,16,20-21,24H,8-9,11-12,14,17-19H2,1-2H3
  • InChiKey: BRIVIXLMMUIBJY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 4-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-(2-pyridylsulfonyl)amino]methyl]piperidine-1-carboxylate
  • 4-[[[6-cyano-1-[(3-methyl-4-imidazolyl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-(2-pyridylsulfonyl)amino]methyl]-1-piperidinecarboxylic acid methyl ester
  • methyl 4-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-pyridin-2-ylsulfonyl-amino]methyl]piperidine-1-carboxylate
  • 4-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-(2-pyridylsulfonyl)amino]methyl]piperidine-1-carboxylic acid methyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens farnesyltransferase, CAAX box, beta References
Homo sapiens farnesyltransferase, CAAX box, alpha Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni protein farnesyltransferase subunit beta Get druggable targets OG5_128081 All targets in OG5_128081
Toxoplasma gondii hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Candida albicans similar to S. cerevisiae RAM1 (YDL090C) beta subunit of farnesyl transferase (Ram1p+Ram2p), involved in prenylation of RAS prote Get druggable targets OG5_128081 All targets in OG5_128081
Schistosoma japonicum ko:K05954 farnesyltransferase, CAAX box, beta [EC:2.5.1.58], putative Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium vivax prenyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Echinococcus multilocularis protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium falciparum protein farnesyltransferase subunit alpha Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium knowlesi protein farnesyltransferase subunit alpha, putative Get druggable targets OG5_128459 All targets in OG5_128459
Trypanosoma cruzi protein farnesyltransferase, putative Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium yoelii Prenyltransferase and squalene oxidase repeat, putative Get druggable targets OG5_128081 All targets in OG5_128081
Babesia bovis protein prenyltransferase alpha subunit repeat domain containing protein Get druggable targets OG5_128459 All targets in OG5_128459
Leishmania braziliensis farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Giardia lamblia Prenyltransferase Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium knowlesi conserved Plasmodium protein, unknown function Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium vivax conserved Plasmodium protein, unknown function Get druggable targets OG5_128081 All targets in OG5_128081
Trypanosoma cruzi protein farnesyltransferase, putative Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein Get druggable targets OG5_128081 All targets in OG5_128081
Theileria parva hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Cryptosporidium hominis chain B, structure of fpt bound to ggpp Get druggable targets OG5_128081 All targets in OG5_128081
Neospora caninum hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128459 All targets in OG5_128459
Echinococcus granulosus protein farnesyltransferase subunit beta Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium berghei protein farnesyltransferase subunit alpha, putative Get druggable targets OG5_128459 All targets in OG5_128459
Leishmania infantum farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Leishmania donovani farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Theileria parva farnesyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Neospora caninum protein farnesyltranstransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Candida albicans similar to S. cerevisiae RAM1 (YDL090C) beta subunit of farnesyl transferase (Ram1p+Ram2p), involved in prenylation of RAS prote Get druggable targets OG5_128081 All targets in OG5_128081
Candida albicans alpha subunit shared by C terminal CaaX Geranylgeranyltransferase I (Ram2p+Cdc43p) and farnesyltransferase (Ram2p+Ram1p) Get druggable targets OG5_128459 All targets in OG5_128459
Echinococcus multilocularis protein farnesyltransferase subunit beta Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Entamoeba histolytica protein farnesyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium berghei protein farnesyltransferase subunit beta, putative Get druggable targets OG5_128081 All targets in OG5_128081
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Leishmania mexicana farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium knowlesi protein farnesyltransferase subunit beta, putative Get druggable targets OG5_128081 All targets in OG5_128081
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative Get druggable targets OG5_128459 All targets in OG5_128459
Trypanosoma brucei protein farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Babesia bovis prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_128081 All targets in OG5_128081
Cryptosporidium parvum protein geranyl-geranyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Cryptosporidium parvum farnesyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Plasmodium vivax farnesyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Schistosoma japonicum ko:K05954 farnesyltransferase, CAAX box, alpha [EC:2.5.1.58 2.5.1.59], putative Get druggable targets OG5_128459 All targets in OG5_128459
Trypanosoma brucei gambiense protein farnesyltransferase beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Plasmodium falciparum protein farnesyltransferase subunit beta Get druggable targets OG5_128081 All targets in OG5_128081
Giardia lamblia Rab geranylgeranyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Candida albicans alpha subunit shared by C terminal CaaX Geranylgeranyltransferase I (Ram2p+Cdc43p) and farnesyltransferase (Ram2p+Ram1p) Get druggable targets OG5_128459 All targets in OG5_128459
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_128081 All targets in OG5_128081
Leishmania major farnesyltransferase beta subunit Get druggable targets OG5_128081 All targets in OG5_128081
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
Schistosoma mansoni protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
Cryptosporidium hominis farnesyltransferase Get druggable targets OG5_128459 All targets in OG5_128459
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein Get druggable targets OG5_128081 All targets in OG5_128081
Echinococcus granulosus protein farnesyltransferase alpha subunit Get druggable targets OG5_128459 All targets in OG5_128459
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative Get druggable targets OG5_128081 All targets in OG5_128081
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
Onchocerca volvulus 0.03 0.2604 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0234 0.0898
Trypanosoma brucei membrane transporter protein, putative 0.0056 0.0062 0.0699
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.03 0.2604 1
Entamoeba histolytica fatty acid elongase, putative 0.0131 0.0845 0.5682
Trypanosoma cruzi hypothetical protein, conserved 0.0056 0.0062 0.0699
Loa Loa (eye worm) animal heme peroxidase 0.0072 0.0234 0.0898
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0193 0.1488 1
Echinococcus multilocularis multidrug and toxin extrusion protein 2 0.0056 0.0062 0.0414
Brugia malayi Blistered cuticle protein 3 0.0072 0.0234 0.0898
Trypanosoma brucei membrane transporter protein, putative 0.0056 0.0062 0.0699
Echinococcus multilocularis Multi antimicrobial extrusion protein MatE 0.0051 0.0011 0.0071
Leishmania major hypothetical protein, conserved 0.0056 0.0062 0.0699
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0143 0.0967 0.65
Brugia malayi Trypsin family protein 0.03 0.2604 1
Entamoeba histolytica fatty acid elongase, putative 0.0131 0.0845 0.5682
Trypanosoma cruzi membrane transporter protein, putative 0.0056 0.0062 0.0699
Loa Loa (eye worm) hypothetical protein 0.0072 0.0234 0.0898
Loa Loa (eye worm) hypothetical protein 0.0072 0.0234 0.0898
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0135 0.0881 0.5917
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0193 0.1488 1
Brugia malayi Animal haem peroxidase family protein 0.0072 0.0234 0.0898
Giardia lamblia Rab geranylgeranyltransferase 0.0193 0.1488 1
Giardia lamblia Prenyltransferase 0.0135 0.0881 0.5917
Entamoeba histolytica fatty acid elongase, putative 0.0131 0.0845 0.5682
Loa Loa (eye worm) animal heme peroxidase 0.0072 0.0234 0.0898
Leishmania major farnesyltransferase beta subunit 0.0135 0.0881 1
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0135 0.0881 0.9104
Entamoeba histolytica fatty acid elongase, putative 0.0131 0.0845 0.5682
Brugia malayi Animal haem peroxidase family protein 0.0072 0.0234 0.0898
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.101 1 0.5
Onchocerca volvulus Chorion peroxidase homolog 0.0072 0.0234 0.0898
Onchocerca volvulus Peroxidasin homolog 0.0072 0.0234 0.0898
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0193 0.1488 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0135 0.0881 0.5917
Schistosoma mansoni multidrug resistance protein 0.0056 0.0062 0.0236
Loa Loa (eye worm) animal heme peroxidase 0.0072 0.0234 0.0898
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.101 1 0.5
Trypanosoma cruzi protein farnesyltransferase, putative 0.0135 0.0881 1
Trypanosoma cruzi protein farnesyltransferase, putative 0.0135 0.0881 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0234 0.0898
Brugia malayi Peroxidasin 0.0072 0.0234 0.0898
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0193 0.1488 0.5716
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0135 0.0881 0.3382
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0135 0.0881 0.5917
Trypanosoma brucei membrane transporter protein, putative 0.0056 0.0062 0.0699
Brugia malayi Animal haem peroxidase family protein 0.0072 0.0234 0.0898
Brugia malayi Animal haem peroxidase family protein 0.0072 0.0234 0.0898
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0193 0.1488 0.1488
Loa Loa (eye worm) hypothetical protein 0.0072 0.0234 0.0898
Loa Loa (eye worm) hypothetical protein 0.0072 0.0234 0.0898
Onchocerca volvulus Peroxidase homolog 0.0072 0.0234 0.0898
Toxoplasma gondii hypothetical protein 0.0143 0.0967 1
Echinococcus granulosus multidrug and toxin extrusion protein 2 0.0056 0.0062 0.0414
Loa Loa (eye worm) hypothetical protein 0.0072 0.0234 0.0898
Loa Loa (eye worm) hypothetical protein 0.0193 0.1488 0.5716
Onchocerca volvulus 0.0072 0.0234 0.0898
Echinococcus multilocularis peroxidasin 0.0072 0.0234 0.1571
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0135 0.0881 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0135 0.0881 0.5917
Loa Loa (eye worm) hypothetical protein 0.0072 0.0234 0.0898
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.101 1 1
Onchocerca volvulus Peroxidase homolog 0.0072 0.0234 0.0898
Onchocerca volvulus 0.0072 0.0234 0.0898
Echinococcus granulosus peroxidasin 0.0072 0.0234 0.1571
Loa Loa (eye worm) animal heme peroxidase 0.0072 0.0234 0.0898
Loa Loa (eye worm) hypothetical protein 0.0072 0.0234 0.0898
Trypanosoma cruzi hypothetical protein, conserved 0.0056 0.0062 0.0699
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0135 0.0881 0.5917
Loa Loa (eye worm) hypothetical protein 0.0072 0.0234 0.0898
Trypanosoma cruzi hypothetical protein, conserved 0.0056 0.0062 0.0699
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0193 0.1488 0.5716
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0193 0.1488 0.5716
Loa Loa (eye worm) hypothetical protein 0.0072 0.0234 0.0898
Trypanosoma brucei MATE efflux family protein, putative 0.0056 0.0062 0.0699
Onchocerca volvulus 0.0072 0.0234 0.0898
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0135 0.0881 0.3382
Brugia malayi hypothetical protein 0.0072 0.0234 0.0898
Onchocerca volvulus 0.0275 0.2341 0.899
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.101 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0193 0.1488 1
Schistosoma mansoni peroxidasin 0.0072 0.0234 0.0898
Entamoeba histolytica fatty acid elongase, putative 0.0131 0.0845 0.5682
Trypanosoma cruzi hypothetical protein, conserved 0.0056 0.0062 0.0699
Loa Loa (eye worm) hypothetical protein 0.03 0.2604 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0234 0.0898
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.101 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0072 0.0234 0.0898
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0135 0.0881 0.5917
Onchocerca volvulus Peroxidasin homolog 0.0072 0.0234 0.0898
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0135 0.0881 0.5917
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0193 0.1488 0.1488
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0135 0.0881 0.5917
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0135 0.0881 0.0881
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0135 0.0881 0.0881
Trypanosoma cruzi hypothetical protein, conserved 0.0056 0.0062 0.0699
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.101 1 0.5
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0193 0.1488 1
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0098 0.05 0.05
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0135 0.0881 0.3382
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.101 1 0.5
Loa Loa (eye worm) hypothetical protein 0.03 0.2604 1
Loa Loa (eye worm) blistered cuticle protein 3 0.0072 0.0234 0.0898
Loa Loa (eye worm) hypothetical protein 0.0072 0.0234 0.0898
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0135 0.0881 0.5917
Leishmania major hypothetical protein, conserved 0.0056 0.0062 0.0699
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0193 0.1488 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.03 0.2604 1
Onchocerca volvulus Dual oxidase homolog 0.0072 0.0234 0.0898
Schistosoma mansoni peroxidasin 0.0072 0.0234 0.0898
Brugia malayi Animal haem peroxidase family protein 0.0072 0.0234 0.0898

Activities

Activity type Activity value Assay description Source Reference
AUC (ADMET) = 221 uM.min AUC in BALB/c mouse at 50 mg/kg, po ChEMBL. 17606674
Cmax (ADMET) = 4.2 uM Cmax in BALB/c mouse at 50 mg/kg, po ChEMBL. 17606674
ED50 (functional) = 15 nM Antimalarial activity against Plasmodium falciparum K1 ChEMBL. 17722901
ED50 (functional) = 15 nM Antimalarial activity against Plasmodium falciparum in human red cells ChEMBL. 18198825
ED50 (functional) = 15 nM Antimalarial activity against Plasmodium falciparum K1 ChEMBL. 17722901
ED50 (functional) = 15 nM Antimalarial activity against Plasmodium falciparum in human red cells ChEMBL. 18198825
ED50 (functional) = 16 nM Antimalarial activity against Plasmodium falciparum 3D7 ChEMBL. 17722901
ED50 (functional) = 16 nM Antimalarial activity against Plasmodium falciparum ChEMBL. 18077162
ED50 (functional) = 16 nM Antimalarial activity against Plasmodium falciparum 3D7 ChEMBL. 17722901
ED50 (functional) = 16 nM Antimalarial activity against Plasmodium falciparum ChEMBL. 18077162
ED50 (functional) = 16 nM Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 by [3H]hypoxanthine uptake ChEMBL. 17606674
ED50 (functional) = 18 nM Antiplasmodial activity against Plasmodium falciparum by [3H]hypoxanthine uptake ChEMBL. 17606674
IC50 (binding) = 0.5 nM Inhibition of Plasmodium falciparum PFT ChEMBL. 18198825
IC50 (binding) = 0.58 nM Inhibition of plasmodium falciparum protein farnesyltransferase by scintillation proximity assay ChEMBL. 17722901
IC50 (binding) = 3.2 nM Inhibition of protein farnesyltransferase ChEMBL. 17722901
IC50 (binding) = 3.2 nM Inhibition of protein farnesyltransferase ChEMBL. 17722901
Inhibition (binding) Inhibition of 5HT2A receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of beta-1 adrenergic receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of alpha2 adrenergic receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of dopamine D2S receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of neuropeptide Y1 receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of NK2 receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of 5HT1A receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of Galanin receptor type 2 at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of adenosine A3 receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of mu opioid receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of dopamine D1 receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of CCR1 receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of 5HT5A receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of ETA receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of 5HT1B receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of dopamine central BZD receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of histamine H2 receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of VIP1 receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of kappa opioid receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of MC4 receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of muscarinic M3 receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of CXCR2 receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of melatonin MT1 receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of NK3 receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of CCK1 receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of NET at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of 5HT6 receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of adenosine A2A receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of bradykinin B2 receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of histamine H1 receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of angiotensin AT1 receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of NTS1 receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of neuropeptide Y2 receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of delta opioid receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of DAT at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of 5HT3 receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of 5HT7 receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of ORL1 receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) Inhibition of adenosine A1 receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) = 61 % Inhibition of plasmodium falciparum protein farnesyltransferase at 5 nM by scintillation proximity assay ChEMBL. 17722901
Inhibition (binding) = 64 % Inhibition of muscarinic M1 receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) = 77 % Inhibition of muscarinic M2 receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) = 81 % Inhibition of vasopressin V1a receptor at 10 uM ChEMBL. 17606674
Inhibition (binding) = 96 % Inhibition of plasmodium falciparum protein farnesyltransferase at 0.5 nM by scintillation proximity assay ChEMBL. 17722901
Inhibition (binding) = 100 % Inhibition of plasmodium falciparum protein farnesyltransferase at 50 nM by scintillation proximity assay ChEMBL. 17722901
permeability (ADMET) = 1.1 10'-6 cm/s Permeability from apical to basolateral side in human Caco-2 cells ChEMBL. 17606674
t1/2 (ADMET) = 3.8 min Metabolic stability assessed as half life in mouse liver microsomes ChEMBL. 18077162
T1/2 (ADMET) = 3.8 min Metabolic stability assessed as half life in mouse liver microsomes ChEMBL. 18077162
T1/2 (ADMET) = 18 min Elimination half life in BALB/c mouse at 50 mg/kg, po ChEMBL. 17606674

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

4 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.