Detailed information for compound 26938

Basic information

Technical information
  • TDR Targets ID: 26938
  • Name: 1-[2,6-di(propan-2-yl)phenyl]-3-[methyl(octyl )sulfamoyl]urea
  • MW: 425.628 | Formula: C22H39N3O3S
  • H donors: 2 H acceptors: 3 LogP: 6.63 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCN(S(=O)(=O)NC(=O)Nc1c(cccc1C(C)C)C(C)C)C
  • InChi: 1S/C22H39N3O3S/c1-7-8-9-10-11-12-16-25(6)29(27,28)24-22(26)23-21-19(17(2)3)14-13-15-20(21)18(4)5/h13-15,17-18H,7-12,16H2,1-6H3,(H2,23,24,26)
  • InChiKey: HBZXCNUCTKUOJF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(2,6-diisopropylphenyl)-3-[methyl(octyl)sulfamoyl]urea
  • 1-[2,6-di(propan-2-yl)phenyl]-3-(methyl-octylsulfamoyl)urea
  • 1-(2,6-diisopropylphenyl)-3-(methyl-octyl-sulfamoyl)urea
  • 1-(2,6-diisopropylphenyl)-3-(methyl-octylsulfamoyl)urea
  • 1-[2,6-di(propan-2-yl)phenyl]-3-(methyl-octyl-sulfamoyl)urea

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Acyl coenzyme A:cholesterol acyltransferase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133487 All targets in OG5_133487
Schistosoma japonicum ko:K00637 sterol O-acyltransferase [EC2.3.1.26], putative Get druggable targets OG5_133487 All targets in OG5_133487
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133487 All targets in OG5_133487
Echinococcus granulosus sterol O acyltransferase 1 Get druggable targets OG5_133487 All targets in OG5_133487
Schistosoma mansoni sterol O-acyltransferase 1 Get druggable targets OG5_133487 All targets in OG5_133487
Echinococcus multilocularis sterol O acyltransferase 1 Get druggable targets OG5_133487 All targets in OG5_133487
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Neospora caninum sterol O-acyltransferase, putative Acyl coenzyme A:cholesterol acyltransferase 1   545 aa 510 aa 21.2 %
Dictyostelium discoideum diacylglycerol O-acyltransferase 1 Acyl coenzyme A:cholesterol acyltransferase 1   545 aa 547 aa 22.3 %
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha Acyl coenzyme A:cholesterol acyltransferase 1   545 aa 510 aa 24.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.015 0.0046 0.0047
Loa Loa (eye worm) ACC-1 protein 0.0324 0.0416 0.0424
Toxoplasma gondii PAN/Apple domain-containing protein 0.0131 0.0006 0.0014
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0324 0.0416 0.1667
Loa Loa (eye worm) hypothetical protein 0.0131 0.0006 0.0006
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.015 0.0046 0.0184
Schistosoma mansoni nAChR subunit 0.0324 0.0416 0.0416
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0324 0.0416 0.1667
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0324 0.0416 0.1667
Echinococcus multilocularis laminin 0.0136 0.0017 0.0067
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0175 0.0099 0.0101
Schistosoma mansoni nAChR subunit 0.0324 0.0416 0.0416
Loa Loa (eye worm) hypothetical protein 0.015 0.0046 0.0047
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0185 0.0121 0.0123
Echinococcus granulosus sterol O acyltransferase 1 0.0264 0.0288 0.1154
Schistosoma mansoni nAChR subunit 0.0324 0.0416 0.0416
Toxoplasma gondii microneme protein MIC17B 0.0131 0.0006 0.0014
Echinococcus multilocularis sterol O acyltransferase 1 0.0264 0.0288 0.1154
Toxoplasma gondii microneme protein MIC4 0.0131 0.0006 0.0014
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.015 0.0046 0.0184
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.015 0.0046 0.0047
Loa Loa (eye worm) hypothetical protein 0.0324 0.0416 0.0424
Loa Loa (eye worm) PAN domain-containing protein 0.0131 0.0006 0.0006
Echinococcus granulosus glycine receptor subunit alpha 1 0.0324 0.0416 0.1667
Schistosoma mansoni cercarial elastase (S01 family) 0.0584 0.0967 0.0967
Brugia malayi PAN domain containing protein 0.0131 0.0006 0.0006
Toxoplasma gondii subtilisin SUB12 0.0131 0.0006 0.0014
Onchocerca volvulus 0.015 0.0046 0.0047
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0324 0.0416 0.0424
Entamoeba histolytica hypothetical protein 0.0175 0.0099 0.5
Trypanosoma brucei prolyl endopeptidase 0.0128 0 0.5
Brugia malayi excitatory GABA receptor EXP-1A 0.0324 0.0416 0.0424
Schistosoma mansoni neurotransmitter gated ion channel 0.015 0.0046 0.0046
Loa Loa (eye worm) hypothetical protein 0.0131 0.0006 0.0006
Schistosoma mansoni cercarial elastase (S01 family) 0.0584 0.0967 0.0967
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.015 0.0046 0.0047
Loa Loa (eye worm) hypothetical protein 0.0324 0.0416 0.0424
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0324 0.0416 0.0424
Loa Loa (eye worm) hypothetical protein 0.027 0.0302 0.0308
Onchocerca volvulus 0.0131 0.0006 0.0006
Echinococcus granulosus tissue type plasminogen activator 0.1306 0.2496 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0584 0.0967 0.0967
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0584 0.0967 0.3873
Schistosoma mansoni egf-like domain protein 0.0136 0.0017 0.0017
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0324 0.0416 0.0424
Brugia malayi Muscle positioning protein 4 0.0349 0.0468 0.0476
Onchocerca volvulus 0.0349 0.0468 0.0476
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0584 0.0967 0.0967
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0488 0.0762 0.0776
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0324 0.0416 0.1667
Loa Loa (eye worm) hypothetical protein 0.0131 0.0006 0.0006
Echinococcus granulosus glycine receptor subunit alpha 1 0.0324 0.0416 0.1667
Brugia malayi hypothetical protein 0.015 0.0046 0.0047
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0324 0.0416 0.1667
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0324 0.0416 0.1667
Schistosoma mansoni cercarial elastase (S01 family) 0.0584 0.0967 0.0967
Onchocerca volvulus 0.0324 0.0416 0.0424
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0324 0.0416 0.0416
Brugia malayi PAN domain containing protein 0.0131 0.0006 0.0006
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0175 0.0099 0.0101
Loa Loa (eye worm) hypothetical protein 0.0324 0.0416 0.0424
Schistosoma mansoni hypothetical protein 0.0584 0.0967 0.0967
Schistosoma mansoni nAChR subunit 0.0324 0.0416 0.0416
Onchocerca volvulus 0.0131 0.0006 0.0006
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0324 0.0416 0.1667
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0324 0.0416 0.1667
Brugia malayi PAN domain containing protein 0.0131 0.0006 0.0006
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0324 0.0416 0.1667
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0324 0.0416 0.0424
Onchocerca volvulus 0.0584 0.0967 0.0984
Brugia malayi Trypsin-like protease protein 5 0.0584 0.0967 0.0984
Onchocerca volvulus 0.0324 0.0416 0.0424
Schistosoma mansoni nAChR subunit 0.015 0.0046 0.0046
Loa Loa (eye worm) hypothetical protein 0.0175 0.0099 0.0101
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0324 0.0416 0.0424
Toxoplasma gondii PAN domain-containing protein 0.0131 0.0006 0.0014
Loa Loa (eye worm) TK/ROR protein kinase 0.1306 0.2496 0.2542
Onchocerca volvulus 0.015 0.0046 0.0047
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0324 0.0416 0.0416
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0324 0.0416 0.1667
Echinococcus multilocularis Mastin 0.0584 0.0967 0.3873
Loa Loa (eye worm) hypothetical protein 0.0324 0.0416 0.0424
Brugia malayi Trypsin family protein 0.4763 0.9819 1
Brugia malayi Fibulin-1 precursor 0.0136 0.0017 0.0017
Echinococcus granulosus glycine receptor subunit beta 0.0324 0.0416 0.1667
Schistosoma mansoni nAChR subunit 0.015 0.0046 0.0046
Onchocerca volvulus 0.027 0.0301 0.0307
Loa Loa (eye worm) hypothetical protein 0.0175 0.0099 0.0101
Loa Loa (eye worm) PAN domain-containing protein 0.0131 0.0006 0.0006
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0324 0.0416 0.0424
Onchocerca volvulus 0.027 0.0301 0.0307
Loa Loa (eye worm) hypothetical protein 0.015 0.0046 0.0047
Loa Loa (eye worm) hypothetical protein 0.0131 0.0006 0.0006
Echinococcus granulosus transmembrane protease serine 3 0.0584 0.0967 0.3873
Loa Loa (eye worm) hypothetical protein 0.0131 0.0006 0.0006
Echinococcus granulosus glycine receptor subunit alpha 1 0.0324 0.0416 0.1667
Brugia malayi Protein kinase domain containing protein 0.1306 0.2496 0.2542
Toxoplasma gondii PAN domain-containing protein 0.0131 0.0006 0.0014
Loa Loa (eye worm) hypothetical protein 0.015 0.0046 0.0047
Brugia malayi Trypsin family protein 0.0584 0.0967 0.0984
Loa Loa (eye worm) hypothetical protein 0.0175 0.0099 0.0101
Loa Loa (eye worm) DOMON domain-containing protein 0.027 0.0301 0.0307
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0324 0.0416 0.0424
Schistosoma mansoni cercarial elastase (S01 family) 0.0584 0.0967 0.0967
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0584 0.0967 0.0967
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0324 0.0416 0.1667
Loa Loa (eye worm) hypothetical protein 0.0324 0.0416 0.0424
Onchocerca volvulus 0.0131 0.0006 0.0006
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.062 0.1043 0.1043
Echinococcus granulosus nAChR subunit 0.0175 0.0099 0.0397
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0584 0.0967 0.3873
Brugia malayi PAN domain containing protein 0.0131 0.0006 0.0006
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0324 0.0416 0.0416
Loa Loa (eye worm) hypothetical protein 0.0584 0.0967 0.0984
Loa Loa (eye worm) hypothetical protein 0.0324 0.0416 0.0424
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0324 0.0416 0.0424
Plasmodium falciparum cysteine repeat modular protein 1 0.1306 0.2496 0.5
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0324 0.0416 0.0424
Brugia malayi hypothetical protein 0.015 0.0046 0.0047
Loa Loa (eye worm) hypothetical protein 0.4763 0.9819 1
Onchocerca volvulus 0.4179 0.8582 0.874
Loa Loa (eye worm) hypothetical protein 0.015 0.0046 0.0047
Toxoplasma gondii 1,3(4)-beta-glucanase 0.0131 0.0006 0.0014
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0136 0.0017 0.0017
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0324 0.0416 0.0424
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.015 0.0046 0.0047
Loa Loa (eye worm) hypothetical protein 0.0172 0.0093 0.0095
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0175 0.0099 0.0101
Onchocerca volvulus 0.0584 0.0967 0.0984
Echinococcus granulosus laminin 0.0136 0.0017 0.0067
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0175 0.0099 0.0101
Echinococcus multilocularis glycine receptor subunit beta 0.0324 0.0416 0.1667
Echinococcus multilocularis glycine receptor subunit beta 0.0324 0.0416 0.1667
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0324 0.0416 0.0424
Loa Loa (eye worm) hypothetical protein 0.0324 0.0416 0.0424
Toxoplasma gondii calcium binding egf domain-containing protein 0.0136 0.0017 0.0042
Schistosoma mansoni cercarial elastase (S01 family) 0.0584 0.0967 0.0967
Brugia malayi Trypsin family protein 0.0584 0.0967 0.0984
Loa Loa (eye worm) hypothetical protein 0.0131 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0584 0.0967 0.0984
Loa Loa (eye worm) hypothetical protein 0.015 0.0046 0.0047
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0584 0.0967 0.3873
Onchocerca volvulus 0.0324 0.0416 0.0424
Mycobacterium ulcerans hypothetical protein 0.0584 0.0967 0.5
Loa Loa (eye worm) PAN domain-containing protein 0.0131 0.0006 0.0006
Brugia malayi PAN domain containing protein 0.0131 0.0006 0.0006
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0495 0.0777 0.0792
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.015 0.0046 0.0184
Brugia malayi Calcium binding EGF domain containing protein 0.0136 0.0017 0.0017
Echinococcus granulosus glycoprotein Antigen 5 0.0584 0.0967 0.3873
Loa Loa (eye worm) hypothetical protein 0.0324 0.0416 0.0424
Onchocerca volvulus 0.0324 0.0416 0.0424
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0584 0.0967 0.0984
Loa Loa (eye worm) ACC-1 protein 0.0324 0.0416 0.0424
Schistosoma mansoni nAChR subunit 0.0324 0.0416 0.0416
Echinococcus multilocularis tissue type plasminogen activator 0.1306 0.2496 1
Loa Loa (eye worm) hypothetical protein 0.0175 0.0099 0.0101
Loa Loa (eye worm) acetylcholine receptor protein 0.015 0.0046 0.0047
Brugia malayi Cation transporter family protein 0.0324 0.0416 0.0424
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0324 0.0416 0.0424
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0324 0.0416 0.1667
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0324 0.0416 0.0416
Onchocerca volvulus 0.0131 0.0006 0.0006
Onchocerca volvulus 0.0584 0.0967 0.0984
Loa Loa (eye worm) hypothetical protein 0.0324 0.0416 0.0424
Loa Loa (eye worm) hypothetical protein 0.0324 0.0416 0.0424
Leishmania major hypothetical protein, conserved 0.1306 0.2496 1
Toxoplasma gondii calcium binding egf domain-containing protein 0.0136 0.0017 0.0042
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0185 0.0121 0.0123
Loa Loa (eye worm) hypothetical protein 0.0584 0.0967 0.0984
Echinococcus multilocularis glycoprotein Antigen 5 0.0584 0.0967 0.3873
Loa Loa (eye worm) hypothetical protein 0.1306 0.2496 0.2542
Onchocerca volvulus 0.0131 0.0006 0.0006
Onchocerca volvulus 0.0324 0.0416 0.0424
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0324 0.0416 0.1667
Loa Loa (eye worm) hypothetical protein 0.015 0.0046 0.0047
Schistosoma mansoni cercarial elastase (S01 family) 0.0584 0.0967 0.0967
Toxoplasma gondii PAN domain-containing protein 0.2029 0.4027 1
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0324 0.0416 0.0424
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.015 0.0046 0.0047
Toxoplasma gondii microneme protein MIC17C 0.0131 0.0006 0.0014
Brugia malayi SEA domain containing protein 0.027 0.0301 0.0307
Brugia malayi PAN domain containing protein 0.0131 0.0006 0.0006
Onchocerca volvulus 0.027 0.0301 0.0307
Loa Loa (eye worm) hypothetical protein 0.015 0.0046 0.0047
Toxoplasma gondii kringle domain-containing protein 0.1306 0.2496 0.6198
Brugia malayi hypothetical protein 0.015 0.0046 0.0047
Brugia malayi PAN domain containing protein 0.0131 0.0006 0.0006
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.015 0.0046 0.0047
Brugia malayi hypothetical protein 0.0584 0.0967 0.0984
Toxoplasma gondii hypothetical protein 0.0131 0.0006 0.0014
Brugia malayi Receptor family ligand binding region containing protein 0.0488 0.0762 0.0776
Echinococcus multilocularis nAChR subunit 0.0175 0.0099 0.0397
Loa Loa (eye worm) hypothetical protein 0.0185 0.0121 0.0123
Schistosoma mansoni hypothetical protein 0.0584 0.0967 0.0967
Loa Loa (eye worm) hypothetical protein 0.4763 0.9819 1
Loa Loa (eye worm) hypothetical protein 0.0175 0.0099 0.0101
Loa Loa (eye worm) LGC-31 protein 0.0324 0.0416 0.0424
Onchocerca volvulus 0.0584 0.0967 0.0984
Loa Loa (eye worm) hypothetical protein 0.0324 0.0416 0.0424
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0324 0.0416 0.0416
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0324 0.0416 0.0424
Schistosoma mansoni nAChR subunit 0.0324 0.0416 0.0416
Onchocerca volvulus Putative nachr subunit 0.0324 0.0416 0.0424
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0172 0.0093 0.0095
Loa Loa (eye worm) hypothetical protein 0.0584 0.0967 0.0984
Schistosoma mansoni cercarial elastase (S01 family) 0.0584 0.0967 0.0967
Plasmodium vivax cysteine repeat modular protein 1, putative 0.1306 0.2496 0.5
Echinococcus granulosus Mastin 0.0584 0.0967 0.3873
Echinococcus multilocularis fibrillin 1 0.0136 0.0017 0.0067
Schistosoma mansoni cercarial elastase (S01 family) 0.0584 0.0967 0.0967
Loa Loa (eye worm) trypsin family protein 0.0584 0.0967 0.0984
Onchocerca volvulus 0.0131 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.015 0.0046 0.0047
Loa Loa (eye worm) hypothetical protein 0.0131 0.0006 0.0006
Loa Loa (eye worm) PAN domain-containing protein 0.0131 0.0006 0.0006
Echinococcus multilocularis enteropeptidase 0.0584 0.0967 0.3873
Schistosoma mansoni neurotransmitter gated ion channel 0.0175 0.0099 0.0099
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.4763 0.9819 0.9819
Onchocerca volvulus 0.0131 0.0006 0.0006
Onchocerca volvulus 0.0131 0.0006 0.0006
Onchocerca volvulus 0.0584 0.0967 0.0984
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0324 0.0416 0.1667
Brugia malayi hypothetical protein 0.015 0.0046 0.0047
Loa Loa (eye worm) hypothetical protein 0.0175 0.0099 0.0101
Brugia malayi PAN domain containing protein 0.0131 0.0006 0.0006
Schistosoma mansoni neurotransmitter gated ion channel 0.015 0.0046 0.0046
Loa Loa (eye worm) hypothetical protein 0.0324 0.0416 0.0424
Onchocerca volvulus 0.0131 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0136 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0136 0.0017 0.0017
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0584 0.0967 0.3873
Toxoplasma gondii PAN domain-containing protein 0.2029 0.4027 1
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.015 0.0046 0.0047
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0324 0.0416 0.0416
Echinococcus granulosus enteropeptidase 0.0584 0.0967 0.3873
Brugia malayi Cation transporter family protein 0.0324 0.0416 0.0424
Toxoplasma gondii PAN domain-containing protein 0.0131 0.0006 0.0014
Toxoplasma gondii microneme protein MIC17A 0.0131 0.0006 0.0014
Echinococcus multilocularis Tolloid protein 1 0.0172 0.0093 0.0373
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0324 0.0416 0.0424
Onchocerca volvulus 0.0175 0.0099 0.0101
Toxoplasma gondii hypothetical protein 0.0131 0.0006 0.0014
Loa Loa (eye worm) hypothetical protein 0.0324 0.0416 0.0424
Onchocerca volvulus 0.0131 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0175 0.0099 0.0101
Schistosoma mansoni acetylcholine receptor subunit beta 0.015 0.0046 0.0046
Loa Loa (eye worm) PAN domain-containing protein 0.0131 0.0006 0.0006
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0324 0.0416 0.1667
Loa Loa (eye worm) hypothetical protein 0.015 0.0046 0.0047
Echinococcus multilocularis transmembrane protease serine 3 0.0584 0.0967 0.3873
Onchocerca volvulus 0.0324 0.0416 0.0424
Echinococcus granulosus glycine receptor subunit beta 0.0324 0.0416 0.1667
Brugia malayi PAN domain containing protein 0.0131 0.0006 0.0006
Schistosoma mansoni acetylcholine receptor-related 0.015 0.0046 0.0046
Loa Loa (eye worm) hypothetical protein 0.0175 0.0099 0.0101
Onchocerca volvulus 0.0131 0.0006 0.0006
Onchocerca volvulus 0.015 0.0046 0.0047
Brugia malayi Cation transporter family protein 0.0324 0.0416 0.0424
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0324 0.0416 0.0424
Brugia malayi hypothetical protein 0.015 0.0046 0.0047
Loa Loa (eye worm) hypothetical protein 0.015 0.0046 0.0047
Loa Loa (eye worm) hypothetical protein 0.0349 0.0468 0.0476
Loa Loa (eye worm) hypothetical protein 0.0238 0.0233 0.0238
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0175 0.0099 0.0099
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0324 0.0416 0.0424
Echinococcus multilocularis nAChR subunit 0.0324 0.0416 0.1667
Schistosoma mansoni cercarial elastase (S01 family) 0.0584 0.0967 0.0967
Schistosoma mansoni nAChR subunit 0.0324 0.0416 0.0416
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.015 0.0046 0.0047
Onchocerca volvulus 0.4763 0.9819 1
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0172 0.0093 0.0093
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0584 0.0967 0.0967
Toxoplasma gondii PAN domain-containing protein 0.0131 0.0006 0.0014
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.015 0.0046 0.0184
Echinococcus granulosus Tolloid protein 1 0.0172 0.0093 0.0373
Schistosoma mansoni cercarial elastase (S01 family) 0.0584 0.0967 0.0967
Loa Loa (eye worm) hypothetical protein 0.0264 0.0288 0.0293
Brugia malayi PAN domain containing protein 0.0131 0.0006 0.0006
Schistosoma mansoni sterol O-acyltransferase 1 0.0264 0.0288 0.0288
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0324 0.0416 0.0424
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0218 0.019 0.019
Loa Loa (eye worm) hypothetical protein 0.0324 0.0416 0.0424
Trypanosoma cruzi hypothetical protein, conserved 0.1306 0.2496 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0584 0.0967 0.0967
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0324 0.0416 0.0424
Loa Loa (eye worm) hypothetical protein 0.0324 0.0416 0.0424
Onchocerca volvulus 0.1306 0.2496 0.2542
Brugia malayi Kringle domain containing protein 0.1306 0.2496 0.2542
Loa Loa (eye worm) hypothetical protein 0.0324 0.0416 0.0424
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0175 0.0099 0.0099
Schistosoma mansoni hypothetical protein 0.027 0.0301 0.0301
Echinococcus granulosus nAChR subunit 0.0324 0.0416 0.1667
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0324 0.0416 0.1667
Loa Loa (eye worm) hypothetical protein 0.0345 0.046 0.0469
Loa Loa (eye worm) hypothetical protein 0.015 0.0046 0.0047
Loa Loa (eye worm) hypothetical protein 0.0495 0.0777 0.0792
Brugia malayi Trypsin family protein 0.0584 0.0967 0.0984
Schistosoma mansoni cercarial elastase (S01 family) 0.0584 0.0967 0.0967
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0324 0.0416 0.0424
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0324 0.0416 0.1667
Schistosoma mansoni hypothetical protein 0.1306 0.2496 0.2496
Loa Loa (eye worm) hypothetical protein 0.0584 0.0967 0.0984
Onchocerca volvulus Arrow homolog 0.0185 0.0121 0.0123
Loa Loa (eye worm) hypothetical protein 0.015 0.0046 0.0047
Loa Loa (eye worm) GABA receptor subunit 0.0175 0.0099 0.0101
Onchocerca volvulus 0.0175 0.0099 0.0101
Loa Loa (eye worm) hypothetical protein 0.015 0.0046 0.0047
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.015 0.0046 0.0047
Toxoplasma gondii microneme protein, putative 0.0131 0.0006 0.0014
Loa Loa (eye worm) hypothetical protein 0.0324 0.0416 0.0424
Loa Loa (eye worm) hypothetical protein 0.0324 0.0416 0.0424
Onchocerca volvulus 0.027 0.0301 0.0307
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0324 0.0416 0.1667
Loa Loa (eye worm) hypothetical protein 0.015 0.0046 0.0047
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.015 0.0046 0.0184
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0324 0.0416 0.0424
Loa Loa (eye worm) hypothetical protein 0.027 0.0301 0.0307

Activities

Activity type Activity value Assay description Source Reference
Delta HDL (functional) = 123 % Chronic in vivo activity of the compound was measured by the concentration of high density lipoproteins (HDL) in cholesterol fed rats ChEMBL. 8632431
Delta HDL (functional) = 123 % Chronic in vivo activity of the compound was measured by the concentration of high density lipoproteins (HDL) in cholesterol fed rats ChEMBL. 8632431
Delta TC (functional) = -64 % Chronic in vivo activity of the compound was measured by the total cholesterol concentration levels in cholesterol fed rats ChEMBL. 8632431
Delta TC (functional) = -64 % Chronic in vivo activity of the compound was measured by the total cholesterol concentration levels in cholesterol fed rats ChEMBL. 8632431
Delta TC (functional) = -59 % Acute in vivo activity measured by total plasma cholesterol concentration levels (TC) at 30 mg/kg dose ChEMBL. 8632431
Delta TC (functional) = -57 % Acute in vivo activity of the compound was measured by the total plasma cholesterol concentration levels(TC) at dose 3 mg/kg ChEMBL. 8632431
Delta TC (functional) = -57 % Acute in vivo activity of the compound was measured by the total plasma cholesterol concentration levels(TC) at dose 3 mg/kg ChEMBL. 8632431
IC50 (binding) = 3.8 uM In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 in microsomes of rat liver ChEMBL. 8632431
IC50 (binding) = 3.8 uM In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 in microsomes of rat liver ChEMBL. 8632431

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.