Detailed information for compound 1050593

Basic information

Technical information
  • TDR Targets ID: 1050593
  • Name: 2-amino-4-(4-octylphenyl)butan-1-ol hydrochlo ride
  • MW: 313.906 | Formula: C18H32ClNO
  • H donors: 2 H acceptors: 1 LogP: 5.83 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCc1ccc(cc1)CCC(CO)N.Cl
  • InChi: 1S/C18H31NO.ClH/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-14-18(19)15-20;/h9-12,18,20H,2-8,13-15,19H2,1H3;1H
  • InChiKey: HGZRXPTWWBQXPA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.023 1
Mycobacterium ulcerans lipase LipD 0.0037 0.0133 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.013 0.3602
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.0587 0.0587
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.023 1
Schistosoma mansoni hypothetical protein 0.0031 0.0089 0.0188
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.0892 0.1885
Onchocerca volvulus Huntingtin homolog 0.0125 0.0793 1
Onchocerca volvulus 0.0099 0.0597 0.7034
Loa Loa (eye worm) hypothetical protein 0.0098 0.0587 0.0587
Loa Loa (eye worm) hypothetical protein 0.0099 0.0597 0.0597
Loa Loa (eye worm) TAR-binding protein 0.019 0.1277 0.1277
Leishmania major hypothetical protein, conserved 0.0037 0.0133 0.0108
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.013 0.5095
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0089 0.0112
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0133 0.0189
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.1358 1 1
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.023 0.036
Trichomonas vaginalis conserved hypothetical protein 0.1358 1 1
Brugia malayi beta-lactamase family protein 0.0037 0.0133 0.0133
Echinococcus granulosus GPCR family 2 0.0031 0.0089 0.0135
Trichomonas vaginalis ran, putative 0.0045 0.0194 0.0065
Trypanosoma brucei importin beta-1 subunit, putative 0.0061 0.0314 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0046 0.0046
Brugia malayi Thyroglobulin type-1 repeat family protein 0.0099 0.0597 0.0597
Mycobacterium tuberculosis Conserved protein 0.0037 0.0133 0.0209
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0089 0.0089
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0133 0.0209
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0118 0.0162
Entamoeba histolytica hypothetical protein 0.0035 0.0118 0.0093
Brugia malayi beta-lactamase family protein 0.0037 0.0133 0.0133
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0089 0.0089
Trypanosoma brucei protein kinase, putative 0.005 0.023 0.7071
Brugia malayi Intermediate filament tail domain containing protein 0.0054 0.0262 0.0262
Brugia malayi TAR-binding protein 0.019 0.1277 0.1277
Schistosoma mansoni tar DNA-binding protein 0.019 0.1277 0.27
Plasmodium vivax importin-beta 2, putative 0.0061 0.0314 0.029
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0133 0.0133
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0045 0.0194 0.0171
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.023 0.0434
Schistosoma mansoni hypothetical protein 0.0049 0.0226 0.0478
Loa Loa (eye worm) thyroglobulin type-1 repeat family protein 0.0099 0.0597 0.0597
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0029 0.0075 0.0075
Brugia malayi MAP kinase sur-1 0.005 0.023 0.023
Schistosoma mansoni ran 0.0045 0.0194 0.041
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0133 0.0281
Brugia malayi cytoplasmic intermediate filament protein 0.0029 0.0075 0.0075
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0138 0.0892 0.1524
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.023 0.0205
Onchocerca volvulus Huntingtin homolog 0.0125 0.0793 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0026 0.0053 0.0059
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.023 0.7071
Brugia malayi RNA binding protein 0.019 0.1277 0.1277
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0133 0.0228
Schistosoma mansoni tar DNA-binding protein 0.019 0.1277 0.27
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0133 1
Schistosoma mansoni serine/threonine protein kinase 0.005 0.023 0.0486
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.013 0.5095
Onchocerca volvulus 0.0099 0.0597 0.7034
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0235 0.1612 1
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.1358 1 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.023 0.0205
Mycobacterium ulcerans beta-lactamase 0.0037 0.0133 1
Echinococcus multilocularis lamin 0.0054 0.0262 0.0416
Loa Loa (eye worm) hypothetical protein 0.0037 0.0133 0.0133
Schistosoma mansoni inositol monophosphatase 0.0036 0.013 0.0274
Onchocerca volvulus 0.0054 0.0262 0.196
Echinococcus granulosus snurportin 1 0.0652 0.473 1
Mycobacterium leprae Probable lipase LipE 0.0037 0.0133 1
Schistosoma mansoni ATP-binding cassette sub-family g2 (white protein) (abcg2) 0.0022 0.0025 0.0054
Mycobacterium tuberculosis Conserved protein 0.0037 0.0133 0.0209
Schistosoma mansoni hypothetical protein 0.0035 0.0118 0.0249
Brugia malayi Importin beta-1 subunit 0.0061 0.0314 0.0314
Loa Loa (eye worm) hypothetical protein 0.0242 0.1662 0.1662
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.019 0.1277 0.1277
Schistosoma mansoni ran 0.0045 0.0194 0.041
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0089 0.0089
Trichomonas vaginalis Importin beta-1 subunit, putative 0.005 0.0228 0.01
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0133 0.0003
Loa Loa (eye worm) hypothetical protein 0.0037 0.0133 0.0133
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0133 0.0209
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0045 0.0194 0.5832
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0045 0.0194 0.0169
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0783 0.5708 1
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0133 0.0209
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0138 0.0892 0.0892
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0089 0.0135
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0138 0.0892 0.0892
Loa Loa (eye worm) inositol-1 0.0036 0.013 0.013
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0045 0.0194 0.0169
Entamoeba histolytica hypothetical protein 0.0035 0.0118 0.0093
Loa Loa (eye worm) hypothetical protein 0.0099 0.0597 0.0597
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.0587 0.0587
Schistosoma mansoni hypothetical protein 0.0031 0.0089 0.0188
Echinococcus granulosus survival motor neuron protein 1 0.0242 0.1662 0.348
Loa Loa (eye worm) intermediate filament protein 0.0054 0.0262 0.0262
Onchocerca volvulus 0.0099 0.0597 0.7034
Onchocerca volvulus 0.0054 0.0262 0.196
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0133 0.0003
Echinococcus granulosus tar DNA binding protein 0.019 0.1277 0.2661
Schistosoma mansoni hypothetical protein 0.0067 0.0356 0.0754
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0133 0.5248
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0133 0.0209
Brugia malayi RNA recognition motif domain containing protein 0.019 0.1277 0.1277
Loa Loa (eye worm) hypothetical protein 0.0037 0.0133 0.0133
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0138 0.0892 0.1841
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0133 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0054 0.0262 0.0262
Echinococcus multilocularis importin subunit beta 1 0.0061 0.0314 0.0509
Schistosoma mansoni intermediate filament proteins 0.0054 0.0262 0.0554
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.023 0.0205
Brugia malayi beta-lactamase 0.0037 0.0133 0.0133
Giardia lamblia Kinase, CMGC MAPK 0.005 0.023 0.0207
Trichomonas vaginalis Importin beta-1 subunit, putative 0.005 0.0228 0.01
Trichomonas vaginalis CMGC family protein kinase 0.005 0.023 0.0102
Trypanosoma cruzi importin beta-1 subunit, putative 0.005 0.0228 0.9921
Echinococcus multilocularis tar DNA binding protein 0.019 0.1277 0.2203
Brugia malayi hypothetical protein 0.0242 0.1662 0.1662
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0026 0.0053 0.0049
Loa Loa (eye worm) hypothetical protein 0.0026 0.0053 0.0053
Schistosoma mansoni inositol monophosphatase 0.0036 0.013 0.0274
Schistosoma mansoni tar DNA-binding protein 0.019 0.1277 0.27
Plasmodium vivax macrophage migration inhibitory factor, putative 0.1358 1 1
Loa Loa (eye worm) beta-lactamase 0.0037 0.0133 0.0133
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0138 0.0892 0.1524
Loa Loa (eye worm) hypothetical protein 0.0054 0.0262 0.0262
Echinococcus granulosus GTP binding nuclear protein Ran 0.0045 0.0194 0.0358
Echinococcus multilocularis lamin dm0 0.0054 0.0262 0.0416
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0133 1
Mycobacterium ulcerans hypothetical protein 0.0037 0.0133 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0045 0.0194 0.0297
Brugia malayi Thyroglobulin type-1 repeat family protein 0.0099 0.0597 0.0597
Plasmodium falciparum importin beta, putative 0.0061 0.0314 0.029
Schistosoma mansoni hypothetical protein 0.0031 0.0089 0.0188
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0133 0.0108
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0133 0.0003
Brugia malayi RNA, U transporter 1 0.0174 0.1156 0.1156
Brugia malayi secreted modular calcium-binding protein 1 0.0099 0.0597 0.0597
Brugia malayi follicle stimulating hormone receptor 0.0226 0.1547 0.1547
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0133 0.0209
Entamoeba histolytica hypothetical protein 0.005 0.0228 0.0203
Schistosoma mansoni hypothetical protein 0.0518 0.3725 0.7875
Loa Loa (eye worm) hypothetical protein 0.0125 0.0793 0.0793
Entamoeba histolytica Ran family GTPase 0.0045 0.0194 0.0169
Onchocerca volvulus 0.0049 0.0226 0.1416
Echinococcus granulosus geminin 0.0518 0.3725 0.7864
Trichomonas vaginalis CMGC family protein kinase 0.005 0.023 0.0102
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0045 0.0194 0.8249
Entamoeba histolytica hypothetical protein 0.0035 0.0118 0.0093
Toxoplasma gondii HEAT repeat-containing protein 0.0061 0.0314 0.029
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0045 0.0194 0.0194
Loa Loa (eye worm) hypothetical protein 0.0031 0.0089 0.0089
Echinococcus multilocularis musashi 0.0054 0.0262 0.0416
Trichomonas vaginalis importin beta-1, putative 0.005 0.0228 0.01
Loa Loa (eye worm) hypothetical protein 0.0025 0.0046 0.0046
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.013 0.0104
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0045 0.0194 0.0169
Trypanosoma brucei importin beta-1 subunit, putative 0.0061 0.0314 1
Schistosoma mansoni survival motor neuron protein 0.0049 0.0226 0.0478
Echinococcus granulosus importin subunit beta 1 0.0061 0.0314 0.0615
Schistosoma mansoni tar DNA-binding protein 0.019 0.1277 0.27
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0118 0.0196
Echinococcus granulosus lamin 0.0054 0.0262 0.0503
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0652 0.473 0.473
Leishmania major GTP-binding protein, putative 0.0045 0.0194 0.0169
Loa Loa (eye worm) hypothetical protein 0.0125 0.0793 0.0793
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0133 0.0281
Echinococcus granulosus intermediate filament protein 0.0054 0.0262 0.0503
Entamoeba histolytica hypothetical protein 0.0035 0.0118 0.0093
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.023 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.023 0.023
Echinococcus multilocularis snurportin 1 0.0652 0.473 0.8278
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.013 0.0183
Loa Loa (eye worm) hypothetical protein 0.0099 0.0597 0.0597
Onchocerca volvulus 0.0099 0.0597 0.7034
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0133 0.0209
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0645 0.4673 0.4673
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.1358 1 1
Leishmania major importin beta-1 subunit, putative 0.005 0.0228 0.0203
Schistosoma mansoni lamin 0.0054 0.0262 0.0554
Brugia malayi intermediate filament protein 0.0054 0.0262 0.0262
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0645 0.4673 0.4673
Schistosoma mansoni tar DNA-binding protein 0.019 0.1277 0.27
Echinococcus granulosus mitogen activated protein kinase 0.005 0.023 0.0434
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0133 0.0133
Schistosoma mansoni lamin 0.0054 0.0262 0.0554
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0133 0.3711
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.023 0.036
Loa Loa (eye worm) hypothetical protein 0.0053 0.0255 0.0255
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.013 0.0104
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0133 0.0003
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.023 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.013 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0226 0.1547 0.1547
Loa Loa (eye worm) hypothetical protein 0.0099 0.0597 0.0597
Trichomonas vaginalis CMGC family protein kinase 0.005 0.023 0.0102
Schistosoma mansoni hypothetical protein 0.0031 0.0089 0.0188
Trichomonas vaginalis esterase, putative 0.0037 0.0133 0.0003
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0045 0.0194 0.8249
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.0892 0.1885
Trichomonas vaginalis CMGC family protein kinase 0.005 0.023 0.0102
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0133 0.0003
Toxoplasma gondii ABC1 family protein 0.0037 0.0133 0.0108
Leishmania major macrophage migration inhibitory factor-like protein 0.1358 1 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0133 0.0209
Schistosoma mansoni hypothetical protein 0.0518 0.3725 0.7875
Brugia malayi Inositol-1 0.0036 0.013 0.013
Loa Loa (eye worm) RNA binding protein 0.019 0.1277 0.1277
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.013 0.0221
Giardia lamblia Macrophage migration inhibitory factor 0.1358 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0118 0.0249
Mycobacterium tuberculosis Conserved protein 0.0037 0.0133 0.0209
Plasmodium falciparum macrophage migration inhibitory factor 0.1358 1 1
Echinococcus multilocularis survival motor neuron protein 1 0.0242 0.1662 0.2881
Brugia malayi Thyroglobulin type-1 repeat family protein 0.0099 0.0597 0.0597
Echinococcus multilocularis GPCR, family 2 0.0031 0.0089 0.0112
Schistosoma mansoni importin beta-1 0.0061 0.0314 0.0665
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0356 0.0356
Loa Loa (eye worm) hypothetical protein 0.0037 0.0133 0.0133
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.013 0.9708
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0226 0.0226
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.0892 0.1885
Echinococcus granulosus lamin dm0 0.0054 0.0262 0.0503
Loa Loa (eye worm) hypothetical protein 0.0037 0.0133 0.0133
Brugia malayi hypothetical protein 0.0035 0.0118 0.0118
Loa Loa (eye worm) hypothetical protein 0.0037 0.0133 0.0133
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0138 0.0892 0.1841
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.0587 0.0587
Loa Loa (eye worm) thyroglobulin type-1 repeat family protein 0.0099 0.0597 0.0597
Brugia malayi hypothetical protein 0.0125 0.0793 0.0793
Loa Loa (eye worm) hypothetical protein 0.0067 0.0356 0.0356
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0089 0.0135
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0089 0.0112
Echinococcus multilocularis geminin 0.0518 0.3725 0.651
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0133 0.5248
Loa Loa (eye worm) hypothetical protein 0.0061 0.0314 0.0314
Schistosoma mansoni hypothetical protein 0.0652 0.473 1
Leishmania major macrophage migration inhibitory factor-like protein 0.1358 1 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.013 0.0104
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0045 0.0194 0.0194
Loa Loa (eye worm) macrophage migration inhibitory factor 0.1358 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 11 nM Effect of the compound on mouse allogenic mixed lymphocyte reaction (MLR) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23

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.

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