Detailed information for compound 328954

Basic information

Technical information
  • TDR Targets ID: 328954
  • Name: 3-[[6-chloro-5-[6-(3-chloroanilino)pyrazin-2- yl]pyridin-3-yl]amino]propan-1-ol
  • MW: 390.266 | Formula: C18H17Cl2N5O
  • H donors: 3 H acceptors: 4 LogP: 4.05 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCCNc1cnc(c(c1)c1cncc(n1)Nc1cccc(c1)Cl)Cl
  • InChi: 1S/C18H17Cl2N5O/c19-12-3-1-4-13(7-12)24-17-11-21-10-16(25-17)15-8-14(9-23-18(15)20)22-5-2-6-26/h1,3-4,7-11,22,26H,2,5-6H2,(H,24,25)
  • InChiKey: CWSMCLMKHVQLFW-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-[[6-chloro-5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridyl]amino]propan-1-ol
  • 3-[[6-chloro-5-[6-(3-chloroanilino)-2-pyrazinyl]-3-pyridyl]amino]-1-propanol
  • 3-[[6-chloro-5-[6-[(3-chlorophenyl)amino]pyrazin-2-yl]pyridin-3-yl]amino]propan-1-ol
  • 3-[[6-chloro-5-[6-[(3-chlorophenyl)amino]pyrazin-2-yl]-3-pyridyl]amino]propan-1-ol
  • 3-[[6-chloro-5-[6-[(3-chlorophenyl)amino]-2-pyrazinyl]-3-pyridyl]amino]propan-1-ol
  • Pyrazine-Pyridine Biheteroaryl 76

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens kinase insert domain receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Tyrosine kinase homolog Get druggable targets OG5_130320 All targets in OG5_130320
Loa Loa (eye worm) TK/KIN16 protein kinase Get druggable targets OG5_130320 All targets in OG5_130320
Onchocerca volvulus Get druggable targets OG5_130320 All targets in OG5_130320
Brugia malayi Immunoglobulin I-set domain containing protein Get druggable targets OG5_130320 All targets in OG5_130320

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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0615 0.3076 0.8152
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0344 0.1689 0.3305
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0159 0.0742 0.0742
Trypanosoma cruzi cysteine peptidase, putative 0.0615 0.3076 0.2521
Echinococcus multilocularis cysteine protease 0.0615 0.3076 0.3076
Trypanosoma cruzi cysteine protease, putative 0.0344 0.1689 0.1022
Entamoeba histolytica cysteine proteinase, putative 0.043 0.213 0.5946
Onchocerca volvulus Cathepsin L homolog 0.0615 0.3076 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0615 0.3076 0.8152
Loa Loa (eye worm) hypothetical protein 0.0159 0.0742 0.0739
Entamoeba histolytica cysteine protease, putative 0.0344 0.1689 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0615 0.3076 0.8152
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1968 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0615 0.3076 0.2521
Schistosoma mansoni cathepsin S (C01 family) 0.0159 0.0742 0.0742
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0185 0.0874 0.0142
Echinococcus granulosus cathepsin L 0.0344 0.1689 0.1689
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0615 0.3076 0.724
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.1968 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0159 0.0742 0.0739
Schistosoma mansoni cathepsin B (C01 family) 0.0159 0.0742 0.0742
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0159 0.0742 0.0739
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0615 0.3076 0.8152
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0015 0.0004 0.0004
Brugia malayi Cathepsin L-like precursor 0.0615 0.3076 0.2521
Onchocerca volvulus Cathepsin F homolog 0.0615 0.3076 1
Trypanosoma cruzi cysteine peptidase, putative 0.0615 0.3076 0.2521
Echinococcus multilocularis cathepsin L cysteine protease 0.0615 0.3076 0.3076
Entamoeba histolytica cysteine protease, putative 0.0344 0.1689 0.4054
Plasmodium vivax vivapain-1 0.0344 0.1689 0.4054
Echinococcus granulosus cathepsin L 0.0159 0.0742 0.0742
Loa Loa (eye worm) hypothetical protein 0.043 0.213 0.2127
Loa Loa (eye worm) hypothetical protein 0.0185 0.0874 0.087
Plasmodium vivax vivapain-3 0.0344 0.1689 0.4054
Onchocerca volvulus 0.0615 0.3076 1
Giardia lamblia Cathepsin B precursor 0.0719 0.3606 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0719 0.3606 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0615 0.3076 0.724
Loa Loa (eye worm) hypothetical protein 0.0159 0.0742 0.0739
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0615 0.3076 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0615 0.3076 0.8152
Schistosoma mansoni cell adhesion molecule 0.0015 0.0004 0.0004
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0344 0.1689 0.1689
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0719 0.3606 0.3093
Echinococcus granulosus roundabout 2 0.0018 0.0019 0.0019
Onchocerca volvulus 0.0167 0.0781 0.0165
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0615 0.3076 0.8152
Entamoeba histolytica cysteine protease, putative 0.0344 0.1689 0.4054
Giardia lamblia Cathepsin B precursor 0.0719 0.3606 1
Loa Loa (eye worm) cathepsin B 0.0719 0.3606 0.3603
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0159 0.0742 0.0742
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0615 0.3076 0.8152
Entamoeba histolytica cysteine protease, putative 0.0344 0.1689 0.4054
Echinococcus multilocularis cathepsin L 0.0159 0.0742 0.0742
Toxoplasma gondii cathepsin CPL 0.0615 0.3076 0.8152
Onchocerca volvulus 0.0615 0.3076 1
Echinococcus granulosus cathepsin l1 0.0615 0.3076 0.3076
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0615 0.3076 0.724
Schistosoma mansoni cathepsin F (C01 family) 0.0615 0.3076 0.3076
Entamoeba histolytica cysteine protease, putative 0.0344 0.1689 0.4054
Onchocerca volvulus Cathepsin L homolog 0.0615 0.3076 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0183 0.0862 0.013
Loa Loa (eye worm) ctsf protein 0.0615 0.3076 0.3074
Echinococcus granulosus cathepsin l cysteine peptidase 0.0615 0.3076 0.3076
Loa Loa (eye worm) hypothetical protein 0.0159 0.0742 0.0739
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0615 0.3076 0.8152
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0615 0.3076 0.724
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1968 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0615 0.3076 0.724
Entamoeba histolytica cysteine proteinase 1, putative 0.0344 0.1689 0.4054
Onchocerca volvulus 0.0615 0.3076 1
Onchocerca volvulus 0.0615 0.3076 1
Giardia lamblia Cathepsin B precursor 0.0719 0.3606 1
Loa Loa (eye worm) fibroinase 0.0615 0.3076 0.3074
Trypanosoma cruzi cysteine peptidase, putative 0.0615 0.3076 0.2521
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0615 0.3076 0.3074
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0344 0.1689 0.1022
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0615 0.3076 0.3074
Trypanosoma cruzi cruzipain precursor, putative 0.0185 0.0874 0.0142
Entamoeba histolytica cysteine proteinase 2 0.0344 0.1689 0.4054
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0159 0.0742 0.0742
Entamoeba histolytica cysteine protease, putative 0.0344 0.1689 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0344 0.1689 0.3305
Loa Loa (eye worm) hypothetical protein 0.0159 0.0742 0.0739
Loa Loa (eye worm) hypothetical protein 0.0185 0.0874 0.087
Echinococcus multilocularis cathepsin L cysteine protease 0.0615 0.3076 0.3076
Plasmodium vivax vivapain-2 0.0615 0.3076 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0615 0.3076 0.8152
Entamoeba histolytica cysteine protease, putative 0.0344 0.1689 0.4054
Echinococcus granulosus cathepsin b 0.1968 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0615 0.3076 0.3076
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0615 0.3076 0.8152
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.1968 1 1
Echinococcus multilocularis roundabout 2 0.0018 0.0019 0.0019
Toxoplasma gondii cathepsin B 0.0719 0.3606 1
Brugia malayi Cathepsin L-like precursor 0.0615 0.3076 0.2521
Trypanosoma cruzi cysteine proteinase, putative 0.0344 0.1689 0.1022
Entamoeba histolytica cysteine proteinase, putative 0.0344 0.1689 0.4054
Echinococcus granulosus cathepsin b 0.1968 1 1
Entamoeba histolytica cysteine protease, putative 0.0344 0.1689 0.4054
Echinococcus multilocularis cysteine protease 0.0615 0.3076 0.3076
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0344 0.1689 0.1689
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0344 0.1689 0.1689
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0615 0.3076 0.724
Echinococcus multilocularis cathepsin b 0.1968 1 1
Onchocerca volvulus Tyrosine kinase homolog 0.0171 0.0801 0.025
Loa Loa (eye worm) hypothetical protein 0.0018 0.0019 0.0015
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0615 0.3076 0.8152
Loa Loa (eye worm) hypothetical protein 0.0159 0.0742 0.0739
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0615 0.3076 0.724
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0615 0.3076 0.724
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0719 0.3606 1
Trypanosoma cruzi cysteine peptidase, putative 0.0185 0.0874 0.0142
Plasmodium vivax unspecified product 0.0344 0.1689 0.4054
Brugia malayi Cathepsin L-like precursor 0.0615 0.3076 0.2521
Plasmodium falciparum cysteine proteinase falcipain 3 0.0615 0.3076 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0615 0.3076 0.8152
Entamoeba histolytica cysteine protease, putative 0.0344 0.1689 0.4054
Plasmodium falciparum cysteine proteinase falcipain 1 0.0344 0.1689 0.4054
Brugia malayi Cathepsin L-like precursor 0.043 0.213 0.1499
Onchocerca volvulus 0.0615 0.3076 1
Loa Loa (eye worm) hypothetical protein 0.0185 0.0874 0.087
Loa Loa (eye worm) hypothetical protein 0.0159 0.0742 0.0739
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0615 0.3076 0.3076
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0615 0.3076 0.8152
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.043 0.213 0.4847
Entamoeba histolytica cysteine proteinase, putative 0.0344 0.1689 0.4054
Onchocerca volvulus 0.0615 0.3076 1
Entamoeba histolytica cysteine proteinase, putative 0.0615 0.3076 1
Schistosoma mansoni cathepsin s 0.0185 0.0874 0.0874
Loa Loa (eye worm) hypothetical protein 0.0615 0.3076 0.3074
Echinococcus granulosus cathepsin L cysteine proteinase 0.0615 0.3076 0.3076
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0615 0.3076 0.8152
Trypanosoma cruzi cysteine proteinase, putative 0.0344 0.1689 0.1022
Schistosoma mansoni cathepsin C 0.0159 0.0742 0.0742
Brugia malayi Cathepsin L-like precursor 0.0185 0.0874 0.0142
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0719 0.3606 0.3606
Entamoeba histolytica cysteine proteinase, putative 0.0615 0.3076 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.043 0.213 0.4847
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0615 0.3076 0.8152
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0615 0.3076 0.8152
Trypanosoma cruzi cruzipain precursor, putative 0.0615 0.3076 0.2521
Loa Loa (eye worm) hypothetical protein 0.1968 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1968 1 1
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0159 0.0742 0.0739
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.043 0.213 0.1499
Loa Loa (eye worm) hypothetical protein 0.043 0.213 0.2127
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0615 0.3076 0.8152
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0615 0.3076 0.724
Entamoeba histolytica cysteine protease, putative 0.0344 0.1689 0.4054
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0159 0.0742 0.0742
Brugia malayi Papain family cysteine protease containing protein 0.0344 0.1689 0.1022
Schistosoma mansoni cathepsin F (C01 family) 0.043 0.213 0.213
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0159 0.0742 0.0742
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0159 0.0742 0.0742
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0615 0.3076 0.3076
Brugia malayi Cathepsin L-like precursor 0.0615 0.3076 0.2521
Entamoeba histolytica cysteine protease, putative 0.0344 0.1689 0.4054
Loa Loa (eye worm) hypothetical protein 0.043 0.213 0.2127
Trypanosoma cruzi cysteine peptidase, putative 0.0344 0.1689 0.1022
Trypanosoma brucei cysteine peptidase C (CPC) 0.0719 0.3606 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0159 0.0742 0.0742
Onchocerca volvulus 0.043 0.213 0.5946
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0183 0.0862 0.0859
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0615 0.3076 0.8152
Plasmodium vivax vivapain-2 0.0615 0.3076 1
Echinococcus granulosus cathepsin L cysteine protease 0.0344 0.1689 0.1689
Brugia malayi Papain family cysteine protease containing protein 0.0344 0.1689 0.1022
Plasmodium vivax unspecified product 0.0185 0.0874 0.0564
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0615 0.3076 0.8152
Brugia malayi Cathepsin L-like cysteine proteinase 0.043 0.213 0.1499
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0615 0.3076 0.724
Brugia malayi cathepsin F-like cysteine proteinase 0.0185 0.0874 0.0142
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0615 0.3076 0.8152
Brugia malayi Cathepsin L-like precursor 0.043 0.213 0.1499
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0159 0.0742 0.0742
Brugia malayi Cathepsin L-like precursor 0.0615 0.3076 0.2521
Brugia malayi Papain family cysteine protease containing protein 0.0615 0.3076 0.2521
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0159 0.0742 0.0742
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0615 0.3076 0.724
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0615 0.3076 0.8152
Brugia malayi Cathepsin L-like precursor 0.0615 0.3076 0.2521
Onchocerca volvulus 0.0615 0.3076 1
Entamoeba histolytica cysteine protease, putative 0.0344 0.1689 0.4054
Entamoeba histolytica cysteine protease, putative 0.0615 0.3076 1
Entamoeba histolytica cysteine protease, putative 0.0344 0.1689 0.4054
Echinococcus granulosus cathepsin l1 0.043 0.213 0.213
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0615 0.3076 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0615 0.3076 0.8152
Echinococcus granulosus cysteine protease 0.0344 0.1689 0.1689
Echinococcus multilocularis cathepsin b 0.1968 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0615 0.3076 0.8152
Echinococcus multilocularis cathepsin L 0.0344 0.1689 0.1689
Entamoeba histolytica cysteine proteinase, putative 0.0344 0.1689 0.4054
Loa Loa (eye worm) hypothetical protein 0.0018 0.0019 0.0015
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0615 0.3076 0.8152
Brugia malayi cathepsin L-like precursor 0.043 0.213 0.1499
Loa Loa (eye worm) cysteine protease 0.0615 0.3076 0.3074
Entamoeba histolytica cysteine proteinase, putative 0.0344 0.1689 0.4054
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0185 0.0874 0.087
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0615 0.3076 0.8152

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 10 uM Inhibition of cyclin-dependent kinase 1 activity ChEMBL. 16033269
IC50 (binding) > 10 uM Inhibition of vascular endothelial growth factor receptor 2 ChEMBL. 16033269
IC50 (binding) > 10 uM Inhibition of vascular endothelial growth factor receptor 2 ChEMBL. 16033269

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.

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