Detailed information for compound 1153118

Basic information

Technical information
  • TDR Targets ID: 1153118
  • Name: N-[3-[4-[bis(2-chloroethyl)amino]phenyl]propy l]acridin-9-amine
  • MW: 452.419 | Formula: C26H27Cl2N3
  • H donors: 1 H acceptors: 1 LogP: 7.13 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClCCN(c1ccc(cc1)CCCNc1c2ccccc2nc2c1cccc2)CCCl
  • InChi: 1S/C26H27Cl2N3/c27-15-18-31(19-16-28)21-13-11-20(12-14-21)6-5-17-29-26-22-7-1-3-9-24(22)30-25-10-4-2-8-23(25)26/h1-4,7-14H,5-6,15-19H2,(H,29,30)
  • InChiKey: VHRIBWYCKXQYLG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-[4-[bis(2-chloroethyl)amino]phenyl]propyl]-9-acridinamine
  • acridin-9-yl-[3-[4-[bis(2-chloroethyl)amino]phenyl]propyl]amine
  • 130031-42-4
  • N-(3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-9-acridinamine

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
Schistosoma mansoni hypothetical protein 0.0171 0.1461 0.4997
Echinococcus multilocularis tar DNA binding protein 0.0313 0.2812 0.338
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0274 0.0203
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0121 0.0024
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0222 0.0139
Giardia lamblia DNA repair protein RAD52 0.1069 1 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0312 0.0501
Leishmania major hypothetical protein, conserved 0.0036 0.018 0.3067
Brugia malayi beta-lactamase family protein 0.0036 0.018 0.0399
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0274 0.0601
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0032 0.0134 0.4889
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0091 0.261
Loa Loa (eye worm) hypothetical protein 0.015 0.1262 0.2648
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0065 0.0454 1
Echinococcus multilocularis peregrin 0.0029 0.0113 0.0002
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0121 0.0419
Schistosoma mansoni tar DNA-binding protein 0.0313 0.2812 1
Brugia malayi latrophilin 2 splice variant baaae 0.0171 0.1461 0.3237
Echinococcus multilocularis isocitrate dehydrogenase 0.0032 0.0134 0.0029
Loa Loa (eye worm) pigment dispersing factor receptor c 0.025 0.2214 0.48
Onchocerca volvulus 0.0036 0.018 0.0335
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.018 0.024
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0454 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0274 0.037
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0091 0.261
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0079 0.0588 0.1302
Onchocerca volvulus 0.01 0.0789 0.339
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0096 0.0747 0.0795
Echinococcus granulosus peregrin 0.0029 0.0113 0.0006
Loa Loa (eye worm) hypothetical protein 0.0036 0.018 0.0202
Loa Loa (eye worm) hypothetical protein 0.0036 0.018 0.0202
Loa Loa (eye worm) hypothetical protein 0.0036 0.018 0.0202
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.018 0.024
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0172 0.0224
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0274 0.0203
Onchocerca volvulus 0.003 0.0121 0.0039
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0065 0.0454 0.0429
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0032 0.0134 0.6223
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0232 0.2041 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0274 0.037
Entamoeba histolytica hypothetical protein 0.0304 0.2727 0.2684
Toxoplasma gondii isocitrate dehydrogenase 0.0032 0.0134 0.0602
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0134 0.0029
Brugia malayi Carboxylesterase family protein 0.0066 0.0459 0.1017
Loa Loa (eye worm) acetylcholinesterase 1 0.0066 0.0459 0.0833
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0113 0.0312
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0079 0.0588 0.1083
Loa Loa (eye worm) hypothetical protein 0.0492 0.4514 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.018 0.0202
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0172 0.0184
Schistosoma mansoni hypothetical protein 0.0079 0.0588 0.1763
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0172 0.0076
Schistosoma mansoni hypothetical protein 0.0079 0.0588 0.1763
Onchocerca volvulus 0.0036 0.018 0.0335
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0032 0.0134 1
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0103 0.0817 0.0883
Echinococcus granulosus acetylcholinesterase 0.0066 0.0459 0.0791
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0454 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0032 0.0134 0.4889
Brugia malayi jmjC domain containing protein 0.0035 0.0172 0.0381
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0313 0.2812 0.6153
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0134 0.1909
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.018 0.024
Loa Loa (eye worm) hypothetical protein 0.0152 0.1278 0.2685
Toxoplasma gondii isocitrate dehydrogenase 0.0032 0.0134 0.0602
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.018 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0274 0.0601
Plasmodium vivax hypothetical protein, conserved 0.0036 0.018 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.018 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.025 0.2214 0.4904
Schistosoma mansoni jumonji domain containing protein 0.0076 0.056 0.1659
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0079 0.0588 0.1083
Schistosoma mansoni survival motor neuron protein 0.01 0.0789 0.251
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0103 0.0817 0.2614
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.018 0.0399
Loa Loa (eye worm) hypothetical protein 0.0029 0.0113 0.0051
Echinococcus multilocularis GPCR, family 2 0.0079 0.0588 0.0596
Plasmodium vivax importin-beta 2, putative 0.0029 0.0111 0.2314
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0111 0.2314
Toxoplasma gondii aldehyde dehydrogenase 0.0065 0.0454 0.4998
Brugia malayi RNA recognition motif domain containing protein 0.0313 0.2812 0.623
Onchocerca volvulus 0.0152 0.1278 0.5844
Loa Loa (eye worm) hypothetical protein 0.003 0.0121 0.0069
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.018 0.0591
Loa Loa (eye worm) beta-lactamase 0.0036 0.018 0.0202
Onchocerca volvulus 0.0239 0.2107 1
Echinococcus multilocularis survival motor neuron protein 1 0.0492 0.4514 0.551
Schistosoma mansoni tar DNA-binding protein 0.0313 0.2812 1
Brugia malayi Pre-SET motif family protein 0.021 0.1831 0.4057
Trichomonas vaginalis set domain proteins, putative 0.0239 0.2107 1
Brugia malayi isocitrate dehydrogenase 0.0032 0.0134 0.0298
Loa Loa (eye worm) isocitrate dehydrogenase 0.0032 0.0134 0.0099
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.018 0.0591
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.018 0.0255
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0172 0.0139
Loa Loa (eye worm) hypothetical protein 0.0066 0.0459 0.0833
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.041 0.0722
Echinococcus granulosus carboxylesterase 5A 0.0066 0.0459 0.0791
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0103 0.0817 0.2614
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0121 0.0036
Brugia malayi MH2 domain containing protein 0.0118 0.0955 0.2116
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0113 0.0002
Brugia malayi Pre-SET motif family protein 0.003 0.0121 0.0268
Loa Loa (eye worm) hypothetical protein 0.0036 0.018 0.0202
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0113 0.0006
Loa Loa (eye worm) hypothetical protein 0.0069 0.049 0.0903
Echinococcus granulosus survival motor neuron protein 1 0.0492 0.4514 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0079 0.0588 0.1123
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0032 0.0134 0.0029
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.018 0.024
Schistosoma mansoni tar DNA-binding protein 0.0313 0.2812 1
Loa Loa (eye worm) RNA binding protein 0.0313 0.2812 0.6153
Loa Loa (eye worm) hypothetical protein 0.025 0.2214 0.48
Schistosoma mansoni hypothetical protein 0.0079 0.0588 0.1763
Plasmodium vivax SET domain protein, putative 0.003 0.0121 0.3404
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.018 0.0591
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0454 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0121 0.0036
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.031 0.2788 0.6097
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.018 0.024
Echinococcus multilocularis snurportin 1 0.031 0.2788 0.3349
Loa Loa (eye worm) hypothetical protein 0.0029 0.0111 0.0047
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0134 0.4889
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0103 0.0817 0.1605
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0103 0.0817 0.0883
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0121 0.0036
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0069 0.049 0.1402
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0065 0.0454 0.1675
Mycobacterium tuberculosis Conserved protein 0.0036 0.018 0.024
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0111 0.0285
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.021 0.1831 0.3935
Loa Loa (eye worm) hypothetical protein 0.0066 0.0459 0.0833
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0079 0.0588 0.0596
Brugia malayi hypothetical protein 0.0152 0.1278 0.2832
Loa Loa (eye worm) hypothetical protein 0.0036 0.018 0.0202
Mycobacterium leprae Probable lipase LipE 0.0036 0.018 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0172 0.0224
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0069 0.049 0.2104
Schistosoma mansoni hypothetical protein 0.01 0.0789 0.251
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0274 0.0606
Mycobacterium tuberculosis Conserved protein 0.0036 0.018 0.024
Plasmodium falciparum importin beta, putative 0.0029 0.0111 0.4733
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0454 0.1268
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0079 0.0588 0.0596
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.018 0.0591
Loa Loa (eye worm) hypothetical protein 0.0036 0.018 0.0202
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0454 0.1268
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0113 0.0051
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0134 0.0029
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0222 0.0254
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0032 0.0134 0.0085
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.018 0.0591
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0134 0.6223
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.0955 0.1954
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0121 0.0012
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.025 0.2214 0.4904
Onchocerca volvulus 0.0036 0.018 0.0335
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.018 0.024
Brugia malayi beta-lactamase family protein 0.0036 0.018 0.0399
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.0379 0.3442 0.7565
Echinococcus multilocularis carboxylesterase 5A 0.0066 0.0459 0.0435
Echinococcus granulosus acetylcholinesterase 0.0066 0.0459 0.0791
Loa Loa (eye worm) hypothetical protein 0.015 0.1262 0.2648
Brugia malayi hypothetical protein 0.0492 0.4514 1
Schistosoma mansoni tar DNA-binding protein 0.0313 0.2812 1
Brugia malayi Importin beta-1 subunit 0.0029 0.0111 0.0247
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0096 0.0747 0.1445
Brugia malayi hypothetical protein 0.0027 0.0091 0.0201
Echinococcus granulosus muscleblind protein 0.015 0.1262 0.2615
Loa Loa (eye worm) carboxylesterase 0.0066 0.0459 0.0833
Echinococcus multilocularis muscleblind protein 1 0.015 0.1262 0.144
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0113 0.0312
Brugia malayi RNA, U transporter 1 0.0083 0.0621 0.1377
Loa Loa (eye worm) hypothetical protein 0.0079 0.0588 0.1123
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0069 0.049 0.1402
Brugia malayi Carboxylesterase family protein 0.0066 0.0459 0.1017
Brugia malayi RNA binding protein 0.0313 0.2812 0.623
Brugia malayi Latrophilin receptor protein 2 0.0079 0.0588 0.1302
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0032 0.0134 0.0054
Plasmodium falciparum phd finger protein, putative 0.0029 0.0113 0.5174
Schistosoma mansoni hypothetical protein 0.0079 0.0588 0.1763
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.01 0.0789 0.1748
Loa Loa (eye worm) hypothetical protein 0.0171 0.1461 0.3098
Mycobacterium leprae conserved hypothetical protein 0.0036 0.018 0.5
Brugia malayi beta-lactamase 0.0036 0.018 0.0399
Schistosoma mansoni tar DNA-binding protein 0.0313 0.2812 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0121 0.0036
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0065 0.0454 0.0779
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0274 0.0413
Brugia malayi Melibiase family protein 0.0069 0.049 0.1085
Echinococcus granulosus snurportin 1 0.031 0.2788 0.6079
Echinococcus granulosus importin subunit beta 1 0.0029 0.0111 0.0002
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0274 0.0601
Brugia malayi Muscleblind-like protein 0.015 0.1262 0.2796
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0113 0.0007
Brugia malayi PHD-finger family protein 0.0029 0.0113 0.0251
Leishmania major hypothetical protein, conserved 0.0027 0.0091 0.0801
Toxoplasma gondii melibiase subfamily protein 0.0103 0.0817 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.018 0.0158
Schistosoma mansoni hypothetical protein 0.031 0.2788 0.9909
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0304 0.2727 0.2684
Mycobacterium tuberculosis Conserved protein 0.0036 0.018 0.024
Echinococcus granulosus GPCR family 2 0.0079 0.0588 0.1083
Echinococcus multilocularis acetylcholinesterase 0.0066 0.0459 0.0435
Loa Loa (eye worm) TAR-binding protein 0.0313 0.2812 0.6153
Toxoplasma gondii ABC1 family protein 0.0036 0.018 0.1231
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0113 0.253
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.018 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0134 0.0029
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0066 0.0459 0.1288
Brugia malayi TAR-binding protein 0.0313 0.2812 0.623
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0121 0.0012
Trichomonas vaginalis esterase, putative 0.0036 0.018 0.0591
Brugia malayi Isocitrate dehydrogenase 0.0032 0.0134 0.0298
Brugia malayi jmjC domain containing protein 0.0096 0.0747 0.1655
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.018 0.0086
Echinococcus multilocularis muscleblind protein 0.015 0.1262 0.144
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.018 0.0255
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.018 0.024
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.0955 0.1954
Brugia malayi Bromodomain containing protein 0.0029 0.0113 0.0251
Echinococcus multilocularis acetylcholinesterase 0.0066 0.0459 0.0435
Schistosoma mansoni hypothetical protein 0.0029 0.0113 0.0007
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0103 0.0817 0.2614
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0111 0.2314
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0869 0.8102 1
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.0379 0.3442 0.4168
Echinococcus granulosus tar DNA binding protein 0.0313 0.2812 0.6135
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0103 0.0817 0.2614

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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