Detailed information for compound 1817499

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 424.827 | Formula: C23H15ClF2N2O2
  • H donors: 0 H acceptors: 2 LogP: 4.33 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F
  • InChi: 1S/C23H15ClF2N2O2/c24-16-8-6-15(7-9-16)23-18-4-2-1-3-17(18)22(30)28(23)12-11-27(23)21(29)14-5-10-19(25)20(26)13-14/h1-10,13H,11-12H2
  • InChiKey: GXBAKXRLQAPKEE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cholinergic receptor, muscarinic 5 Starlite/ChEMBL References
Rattus norvegicus Muscarinic acetylcholine receptor M5 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Muscarinic acetylcholine receptor M5   531 aa 504 aa 28.8 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Muscarinic acetylcholine receptor M5   531 aa 542 aa 34.3 %
Schistosoma mansoni biogenic amine (dopamine) receptor Muscarinic acetylcholine receptor M5   531 aa 536 aa 23.3 %
Echinococcus granulosus biogenic amine 5HT receptor Muscarinic acetylcholine receptor M5   531 aa 518 aa 27.4 %
Echinococcus multilocularis biogenic amine (5HT) receptor Muscarinic acetylcholine receptor M5   531 aa 522 aa 27.0 %
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) Muscarinic acetylcholine receptor M5   531 aa 515 aa 24.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0067 0.4619 0.4611
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0021 0.0983 0.0383
Leishmania major ABC-thiol transporter 0.0021 0.0983 0.0383
Trichomonas vaginalis AGC family protein kinase 0.0009 0.0015 0.0032
Brugia malayi ABC transporter transmembrane region family protein 0.0021 0.0983 0.097
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0067 0.4619 0.4611
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0021 0.0983 0.0166
Schistosoma mansoni multidrug resistance protein 0.0021 0.0983 0.097
Trichomonas vaginalis AGC family protein kinase 0.0009 0.0015 0.0032
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0021 0.0983 1
Trichomonas vaginalis ABC transporter, putative 0.0067 0.4619 1
Echinococcus multilocularis multidrug resistance protein 1 0.0047 0.3021 0.3011
Echinococcus granulosus Protein kinase C brain isozyme 0.0057 0.3772 0.3762
Plasmodium vivax multidrug resistance protein 1, putative 0.0067 0.4619 0.4032
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.083 0.0817
Brugia malayi multidrug resistance related protein 1 0.0021 0.0983 0.097
Trichomonas vaginalis ABC transporter, putative 0.0067 0.4619 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0159 0.0144
Schistosoma mansoni multidrug resistance protein 0.002 0.0925 0.0912
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0136 1 1
Brugia malayi Probable isocitrate dehydrogenase 0.0016 0.0624 0.061
Brugia malayi ABC transporter family protein 0.0067 0.4619 0.4611
Schistosoma mansoni serine/threonine protein kinase 0.0057 0.3772 0.3762
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0067 0.4619 1
Echinococcus granulosus multidrug resistance protein 1 0.0067 0.4619 0.4611
Trichomonas vaginalis AGC family protein kinase 0.0009 0.0015 0.0032
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0067 0.4619 0.4261
Trichomonas vaginalis AGC family protein kinase 0.0009 0.0015 0.0032
Trichomonas vaginalis taga, putative 0.0067 0.4619 1
Loa Loa (eye worm) ABC transporter 0.0021 0.0983 0.097
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0067 0.4619 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0067 0.4619 1
Loa Loa (eye worm) ABC transporter 0.0021 0.0983 0.097
Loa Loa (eye worm) hypothetical protein 0.002 0.0925 0.0912
Entamoeba histolytica P-glycoprotein-2 0.0067 0.4619 1
Brugia malayi Cytochrome P450 family protein 0.0019 0.083 0.0817
Schistosoma mansoni multidrug resistance protein 0.0067 0.4619 0.4611
Trypanosoma brucei ABC transporter, mitochondrial, putative 0.0021 0.0983 0.097
Echinococcus granulosus multidrug resistance associated protein 1 0.0021 0.0983 0.097
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0067 0.4619 0.4611
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0136 1 1
Trichomonas vaginalis ABC transporter, putative 0.0067 0.4619 1
Schistosoma mansoni ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6) 0.002 0.0925 0.0912
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0021 0.0983 0.097
Leishmania major p-glycoprotein 0.0067 0.4619 0.4261
Echinococcus granulosus protein kinase c iota type 0.0015 0.0501 0.0487
Trichomonas vaginalis abcb9, putative 0.0067 0.4619 1
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0021 0.0983 0.097
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0021 0.0983 1
Entamoeba histolytica P-glycoprotein 5, putative 0.002 0.0925 0.1978
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0067 0.4619 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0136 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0067 0.4619 1
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0067 0.4619 0.5
Trypanosoma brucei p-glycoprotein 0.0021 0.0983 0.097
Entamoeba histolytica P-glycoprotein-2, putative 0.002 0.0925 0.1978
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0021 0.0983 0.0383
Toxoplasma gondii isocitrate dehydrogenase 0.0136 1 1
Brugia malayi Protein kinase c protein 2 0.0048 0.3099 0.3089
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0021 0.0983 1
Brugia malayi P-glycoprotein-like protein 0.0021 0.0983 0.097
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0016 0.0624 0.061
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0016 0.0624 0.061
Echinococcus granulosus ATP binding cassette sub family B 0.002 0.0925 0.0912
Schistosoma mansoni multidrug resistance protein 0.0021 0.0983 0.097
Schistosoma mansoni multidrug resistance protein 0.0067 0.4619 0.4611
Giardia lamblia Multidrug resistance-associated protein 1 0.0021 0.0983 1
Echinococcus granulosus RNA directed DNA polymerase 0.004 0.2498 0.2486
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0067 0.4619 1
Loa Loa (eye worm) ABC transporter 0.0021 0.0983 0.097
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0136 1 1
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0016 0.0624 0.061
Echinococcus granulosus protein kinase c epsilon type 0.0016 0.0602 0.0588
Trichomonas vaginalis AGC family protein kinase 0.0009 0.0015 0.0032
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0136 1 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0021 0.0983 0.2103
Echinococcus multilocularis 0.0021 0.0983 0.097
Entamoeba histolytica ABC transporter, putative 0.0021 0.0983 0.2103
Schistosoma mansoni atypical protein kinase C 0.0015 0.0501 0.0487
Loa Loa (eye worm) hypothetical protein 0.004 0.2498 0.2486
Schistosoma mansoni multidrug resistance protein 0.0021 0.0983 0.097
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0021 0.0983 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0067 0.4619 1
Trypanosoma cruzi multidrug resistance protein E, putative 0.0021 0.0983 0.0166
Echinococcus multilocularis ATP binding cassette sub family B 0.0021 0.0983 0.097
Leishmania major p-glycoprotein e 0.0021 0.0983 0.0383
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0067 0.4619 1
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0021 0.0983 0.097
Trichomonas vaginalis AGC family protein kinase 0.0009 0.0015 0.0032
Leishmania major cytochrome p450-like protein 0.0019 0.083 0.022
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0067 0.4619 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.4619 0.4611
Mycobacterium ulcerans component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD 0.0021 0.0983 1
Mycobacterium tuberculosis Iron-regulated transporter IrtA 0.0021 0.0983 0.0383
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.181 0.1797
Trichomonas vaginalis AGC family protein kinase 0.0009 0.0015 0.0032
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0067 0.4619 0.4611
Echinococcus multilocularis ATP binding cassette sub family B 0.0021 0.0983 0.097
Mycobacterium ulcerans drugs-transport transmembrane ATP-binding protein ABC transporter 0.0021 0.0983 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0983 0.097
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0067 0.4619 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0067 0.4561 0.4553
Echinococcus multilocularis multidrug resistance protein 1 0.0067 0.4619 0.4611
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0067 0.4619 0.4611
Schistosoma mansoni smdr2 0.0067 0.4619 0.4611
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0067 0.4619 1
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0021 0.0983 0.097
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.083 0.0817
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.004 0.2498 0.2486
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0016 0.0624 0.061
Entamoeba histolytica P-glycoprotein-1 0.0067 0.4619 1
Trypanosoma cruzi ABC transporter, mitochondrial, putative 0.0021 0.0983 0.0166
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0021 0.0983 0.097
Brugia malayi Isocitrate dehydrogenase 0.0136 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0021 0.0983 0.2128
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0021 0.0983 0.0383
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0057 0.3772 0.3762
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0021 0.0983 0.0383
Leishmania major pentamidine resistance protein 1 0.0021 0.0983 0.0383
Trypanosoma cruzi ABC transporter of the mitochondrion, putative 0.0021 0.0983 0.0166
Entamoeba histolytica P-glycoprotein 6, putative 0.0021 0.0983 0.2103
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0067 0.4619 0.4611
Loa Loa (eye worm) CYP4Cod1 0.0019 0.083 0.0817
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0136 1 1
Toxoplasma gondii ABC transporter, putative 0.0021 0.0983 0.097
Echinococcus granulosus multidrug resistance associated protein 7 0.0021 0.0983 0.097
Entamoeba histolytica P-glycoprotein-2 0.0067 0.4619 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0021 0.0983 0.2103
Echinococcus multilocularis isocitrate dehydrogenase 0.0136 1 1
Echinococcus granulosus ATP binding cassette sub family B 0.0021 0.0983 0.097
Brugia malayi ABC transporter transmembrane region family protein 0.0021 0.0983 0.097
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0067 0.4619 0.4611
Echinococcus granulosus ATP binding cassette sub family B 0.0021 0.0983 0.097
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0067 0.4619 0.4611
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0136 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0067 0.4619 1
Entamoeba histolytica tartrate dehydrogenase, putative 0.0016 0.0624 0.1323
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0021 0.0983 0.097
Brugia malayi hypothetical protein 0.0021 0.0983 0.097
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0021 0.0983 1
Echinococcus multilocularis serine threonine protein kinase 0.005 0.3286 0.3276
Loa Loa (eye worm) hypothetical protein 0.0067 0.4561 0.4553
Brugia malayi Cytochrome P450 family protein 0.0032 0.181 0.1797
Trichomonas vaginalis abcb9, putative 0.0067 0.4619 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0021 0.0983 0.097
Trichomonas vaginalis AGC family protein kinase 0.0009 0.0015 0.0032
Loa Loa (eye worm) hypothetical protein 0.0021 0.0983 0.097
Echinococcus granulosus multidrug resistance protein 1 0.0047 0.3021 0.3011
Trypanosoma brucei cytochrome P450, putative 0.0019 0.083 0.0817
Giardia lamblia ABC transporter, putative 0.0021 0.0983 1
Brugia malayi ABC transporter 0.002 0.0925 0.0912
Loa Loa (eye worm) hypothetical protein 0.0047 0.2983 0.2973
Entamoeba histolytica P-glyco protein 6, putative 0.0067 0.4619 1
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0067 0.4561 0.4553
Leishmania major ATP-binding cassette protein subfamily C, member 8, putative 0.0021 0.0983 0.0383
Echinococcus multilocularis multidrug resistance associated protein 7 0.0021 0.0983 0.097
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0067 0.4619 0.4261
Toxoplasma gondii isocitrate dehydrogenase 0.0136 1 1
Entamoeba histolytica P-glycoprotein-2, putative 0.0067 0.4619 1
Echinococcus multilocularis protein kinase c iota type 0.0015 0.0501 0.0487
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0016 0.0624 0.061
Echinococcus granulosus protein kinase C gamma type 0.005 0.3286 0.3276
Onchocerca volvulus 0.0067 0.4619 0.5
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0067 0.4619 1
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0016 0.0624 0.061
Echinococcus granulosus multidrug resistance protein 1 0.0067 0.4619 0.4611
Brugia malayi ABC transporter family protein 0.0021 0.0983 0.097
Schistosoma mansoni multidrug resistance protein 0.0021 0.0983 0.097
Mycobacterium tuberculosis Probable drugs-transport transmembrane ATP-binding protein ABC transporter 0.0021 0.0983 0.0383
Entamoeba histolytica hypothetical protein 0.0021 0.0983 0.2103
Schistosoma mansoni serine/threonine protein kinase 0.0057 0.3772 0.3762
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0136 1 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0021 0.0983 0.097
Toxoplasma gondii ABC transporter family protein 0.0021 0.0983 0.097
Loa Loa (eye worm) hypothetical protein 0.002 0.0925 0.0912
Trichomonas vaginalis AGC family protein kinase 0.0009 0.0015 0.0032
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0021 0.0983 0.097
Echinococcus multilocularis protein kinase c epsilon type 0.0016 0.0602 0.0588
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0016 0.0602 0.0588
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0067 0.4619 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0067 0.4619 1
Plasmodium falciparum multidrug resistance protein 1 0.0067 0.4619 0.4032
Loa Loa (eye worm) isocitrate dehydrogenase 0.0136 1 1
Entamoeba histolytica P-glycoprotein 6, putative 0.0021 0.0983 0.2103
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0021 0.0983 0.0166
Trichomonas vaginalis ABC transporter, putative 0.0067 0.4619 1
Giardia lamblia MRP-like ABC transporter 0.0021 0.0983 1
Echinococcus multilocularis RNA directed DNA polymerase 0.004 0.2498 0.2486
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0925 0.2003
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0067 0.4619 0.4611
Brugia malayi Cytochrome P450 family protein 0.0019 0.083 0.0817
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0136 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0067 0.4619 1
Echinococcus multilocularis multidrug resistance protein 1 0.0067 0.4619 0.4611
Schistosoma mansoni serine/threonine protein kinase 0.0016 0.0602 0.0588
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0136 1 1
Entamoeba histolytica P-glycoprotein 5, putative 0.0067 0.4619 1
Echinococcus granulosus multidrug resistance protein 1 0.0067 0.4619 0.4611
Schistosoma mansoni smdr1 0.0021 0.0983 0.097
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.002 0.0925 0.2003
Brugia malayi ABC transporter family protein 0.0021 0.0983 0.097
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0016 0.0624 0.1351
Toxoplasma gondii ATP-binding cassette sub-family B member 5 0.0021 0.0983 0.097
Leishmania major ATP-binding cassette protein subfamily B, member 3, putative 0.0021 0.0983 0.0383
Schistosoma mansoni multidrug resistance protein 0.0067 0.4619 0.4611
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0016 0.0624 0.061
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0067 0.4619 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0021 0.0983 0.097
Schistosoma mansoni unc-13 (munc13) 0.0024 0.1211 0.1198
Entamoeba histolytica P-glycoprotein-5 0.0067 0.4619 1
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0016 0.0624 0.061
Giardia lamblia Multidrug resistance-associated protein 1 0.0021 0.0983 1
Echinococcus granulosus multidrug resistance protein 1 0.0047 0.3021 0.3011
Brugia malayi protein kinase C II. 0.0016 0.0602 0.0588
Brugia malayi multidrug resistance protein 3 0.0067 0.4619 0.4611
Loa Loa (eye worm) multidrug resistance protein 3 0.0067 0.4619 0.4611
Brugia malayi ABC transporter transmembrane region family protein 0.002 0.0925 0.0912
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0067 0.4619 0.4611
Echinococcus multilocularis ATP binding cassette sub family B 0.0021 0.0983 0.097
Brugia malayi Probable isocitrate dehydrogenase 0.0016 0.0624 0.061
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0021 0.0983 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0021 0.0983 0.2103
Echinococcus multilocularis multidrug resistance associated protein 1 0.0021 0.0983 0.097
Brugia malayi ABC transporter 0.0021 0.0983 0.097
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0016 0.0624 0.061
Loa Loa (eye worm) hypothetical protein 0.0021 0.0983 0.097
Brugia malayi ABC transporter family protein 0.0021 0.0983 0.097
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0067 0.4619 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0019 0.083 0.5753
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0136 1 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0136 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0067 0.4619 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0136 1 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0021 0.0983 0.097
Entamoeba histolytica multidrug resistance protein, putative 0.0021 0.0983 0.2103
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.002 0.0925 0.2003
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0021 0.0983 0.097
Schistosoma mansoni isocitrate dehydrogenase 0.0016 0.0624 0.061
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0067 0.4619 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0047 0.3021 0.6541
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0067 0.4619 0.4611
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0136 1 1
Trypanosoma brucei multidrug resistance protein E 0.0021 0.0983 0.097
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0067 0.4619 1
Trichomonas vaginalis AGC family protein kinase 0.0009 0.0015 0.0032
Loa Loa (eye worm) hypothetical protein 0.0067 0.4619 0.4611
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.002 0.0925 0.2003
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0067 0.4619 0.4611
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0021 0.0983 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0624 0.061
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0042 0.2613 0.2602
Schistosoma mansoni multidrug resistance protein 0.0021 0.0983 0.097
Trichomonas vaginalis abcb9, putative 0.0067 0.4619 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0067 0.4619 1
Leishmania major ATP-binding cassette protein subfamily B, member 1, putative 0.0021 0.0983 0.0383
Entamoeba histolytica ATP-binding cassette protein, putative 0.0021 0.0983 0.2103
Trypanosoma brucei ABC transporter of the mitochondrion, putative 0.0021 0.0983 0.097
Trichomonas vaginalis AGC family protein kinase 0.0009 0.0015 0.0032

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 0.1 % Negative allosteric modulation of human muscarinic acetylcholine receptor M5 expressed in CHO cells assessed as reduction of acetylcholine-induced calcium mobilization at 10 uM incubated for 150 secs prior to acetylcholine induction by Fluo-4 AM staining-based fluorescence assay relative to control ChEMBL. 24164599
IC50 (functional) = 6.32 Negative allosteric modulation of human muscarinic acetylcholine receptor M5 expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization incubated for 150 secs prior to acetylcholine induction by Fluo-4 AM staining-based fluorescence assay ChEMBL. 24164599
IC50 (functional) = 6.32 Negative allosteric modulation of human muscarinic acetylcholine receptor M5 expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization incubated for 150 secs prior to acetylcholine induction by Fluo4AM staining-based fluorescence assay ChEMBL. 25542588
IC50 (functional) = 0.48 uM Negative allosteric modulation of human muscarinic acetylcholine receptor M5 expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization incubated for 150 secs prior to acetylcholine induction by Fluo-4 AM staining-based fluorescence assay ChEMBL. 24164599
IC50 (functional) = 0.48 uM Negative allosteric modulation of human muscarinic acetylcholine receptor M5 expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization incubated for 150 secs prior to acetylcholine induction by Fluo4AM staining-based fluorescence assay ChEMBL. 25542588
IC50 (functional) = 1.1 uM Negative allosteric modulation of rat muscarinic acetylcholine receptor M5 expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization incubated for 150 secs prior to acetylcholine induction by Fluo-4 AM staining-based fluorescence assay ChEMBL. 24164599
IC50 (functional) > 30 uM Negative allosteric modulation of human muscarinic acetylcholine receptor M4 expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization incubated for 150 secs prior to acetylcholine induction by Fluo-4 AM staining-based fluorescence assay ChEMBL. 24164599
IC50 (functional) > 30 uM Negative allosteric modulation of human muscarinic acetylcholine receptor M3 expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization incubated for 150 secs prior to acetylcholine induction by Fluo-4 AM staining-based fluorescence assay ChEMBL. 24164599
IC50 (functional) > 30 uM Negative allosteric modulation of human muscarinic acetylcholine receptor M2 expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization incubated for 150 secs prior to acetylcholine induction by Fluo-4 AM staining-based fluorescence assay ChEMBL. 24164599
IC50 (functional) > 30 uM Negative allosteric modulation of human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization incubated for 150 secs prior to acetylcholine induction by Fluo-4 AM staining-based fluorescence assay ChEMBL. 24164599

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.