Detailed information for compound 111206

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 350.242 | Formula: C17H17Cl2N3O
  • H donors: 1 H acceptors: 3 LogP: 4.75 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1nc2c(n1Cc1cc(Cl)c(c(c1)Cl)O)nccc2C
  • InChi: 1S/C17H17Cl2N3O/c1-3-4-14-21-15-10(2)5-6-20-17(15)22(14)9-11-7-12(18)16(23)13(19)8-11/h5-8,23H,3-4,9H2,1-2H3
  • InChiKey: OTFWXOOPLLSNJX-UHFFFAOYSA-N  

Network

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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
Echinococcus granulosus cathepsin L 0.0771 0.2909 0.2909
Brugia malayi Cathepsin L-like precursor 0.046 0.1221 0.1221
Brugia malayi Papain family cysteine protease containing protein 0.0311 0.0415 0.0415
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1445 0.6566 1
Onchocerca volvulus 0.1445 0.6566 1
Onchocerca volvulus 0.0985 0.4073 0.5946
Loa Loa (eye worm) cathepsin B 0.0857 0.338 0.338
Echinococcus granulosus cathepsin L cysteine proteinase 0.1445 0.6566 0.6566
Brugia malayi Cathepsin L-like precursor 0.1445 0.6566 0.6566
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0771 0.2909 0.2909
Echinococcus multilocularis kinesin family 1 0.0846 0.3317 0.3317
Onchocerca volvulus Cathepsin L homolog 0.1445 0.6566 1
Brugia malayi Papain family cysteine protease containing protein 0.0311 0.0415 0.0415
Loa Loa (eye worm) hypothetical protein 0.0311 0.0415 0.0415
Echinococcus multilocularis cathepsin b 0.2077 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1445 0.6566 1
Schistosoma mansoni voltage-gated potassium channel 0.0884 0.3524 0.3524
Entamoeba histolytica cysteine protease, putative 0.0771 0.2909 0.4054
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0756 0.2832 0.3928
Leishmania major cathepsin L-like protease 0.1445 0.6566 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.2077 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.1445 0.6566 0.6566
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1445 0.6566 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1445 0.6566 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1445 0.6566 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.1445 0.6566 0.6566
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0857 0.338 0.3093
Entamoeba histolytica cysteine proteinase 1, putative 0.0771 0.2909 0.4054
Brugia malayi cathepsin Z-like cysteine proteinase 0.0311 0.0415 0.0415
Schistosoma mansoni voltage-gated potassium channel 0.0884 0.3524 0.3524
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0771 0.2909 0.4054
Entamoeba histolytica cysteine protease, putative 0.0771 0.2909 0.4054
Schistosoma mansoni cathepsin s 0.046 0.1221 0.1221
Plasmodium vivax vivapain-2 0.1445 0.6566 1
Brugia malayi Cathepsin L-like precursor 0.1445 0.6566 0.6566
Leishmania major cathepsin L-like protease 0.1445 0.6566 1
Leishmania major cathepsin L-like protease 0.1445 0.6566 1
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0311 0.0415 0.0415
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1445 0.6566 1
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0311 0.0415 0.0415
Brugia malayi fibroinase precursor 0.0311 0.0415 0.0415
Trypanosoma cruzi cysteine peptidase, putative 0.046 0.1221 0.084
Entamoeba histolytica cysteine protease, putative 0.0771 0.2909 0.4054
Schistosoma mansoni cathepsin C 0.0311 0.0415 0.0415
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.081 0.3121 0.3121
Brugia malayi cathepsin F-like cysteine proteinase 0.0311 0.0415 0.0415
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1445 0.6566 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0311 0.0415 0.0415
Echinococcus granulosus cathepsin L 0.0311 0.0415 0.0415
Echinococcus multilocularis cathepsin L 0.0311 0.0415 0.0415
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0311 0.0415 0.0415
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0311 0.0415 0.0415
Entamoeba histolytica cysteine proteinase, putative 0.1445 0.6566 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0311 0.0415 0.0415
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1445 0.6566 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1445 0.6566 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1445 0.6566 1
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0311 0.0415 0.0415
Entamoeba histolytica cysteine proteinase, putative 0.0771 0.2909 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1445 0.6566 1
Brugia malayi cathepsin F-like cysteine proteinase 0.046 0.1221 0.1221
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1445 0.6566 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1445 0.6566 1
Schistosoma mansoni cathepsin F (C01 family) 0.1445 0.6566 0.6566
Trypanosoma cruzi cysteine proteinase, putative 0.0771 0.2909 0.2602
Echinococcus granulosus cathepsin l1 0.0985 0.4073 0.4073
Plasmodium vivax vivapain-1 0.0771 0.2909 0.4054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.2077 1 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.1445 0.6566 1
Onchocerca volvulus 0.1445 0.6566 1
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.046 0.1221 0.1221
Echinococcus multilocularis cysteine protease 0.1445 0.6566 0.6566
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1445 0.6566 1
Entamoeba histolytica cysteine protease, putative 0.0771 0.2909 0.4054
Brugia malayi Papain family cysteine protease containing protein 0.0771 0.2909 0.2909
Echinococcus multilocularis cysteine protease 0.1445 0.6566 0.6566
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1445 0.6566 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1445 0.6566 1
Echinococcus multilocularis cathepsin L cysteine protease 0.1445 0.6566 0.6566
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1445 0.6566 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.046 0.1221 0.1221
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0771 0.2909 0.2909
Echinococcus granulosus kinesin family 1 0.0846 0.3317 0.3317
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.081 0.3121 0.3121
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0311 0.0415 0.0415
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.1445 0.6566 1
Echinococcus granulosus cysteine protease 0.0771 0.2909 0.2909
Entamoeba histolytica cysteine protease, putative 0.0771 0.2909 0.4054
Loa Loa (eye worm) hypothetical protein 0.0311 0.0415 0.0415
Loa Loa (eye worm) fibroinase 0.1445 0.6566 0.6566
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0857 0.338 0.338
Trypanosoma cruzi cysteine peptidase, putative 0.1445 0.6566 0.6417
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1445 0.6566 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1445 0.6566 1
Loa Loa (eye worm) ctsf protein 0.1445 0.6566 0.6566
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1445 0.6566 1
Brugia malayi cathepsin L precursor 0.0311 0.0415 0.0415
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.2077 1 1
Brugia malayi cathepsin L-like cysteine proteinase 0.0311 0.0415 0.0415
Onchocerca volvulus Cathepsin L homolog 0.1445 0.6566 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1445 0.6566 1
Loa Loa (eye worm) hypothetical protein 0.0311 0.0415 0.0415
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.2077 1 1
Echinococcus multilocularis cathepsin L 0.0771 0.2909 0.2909
Echinococcus granulosus cathepsin l cysteine peptidase 0.1445 0.6566 0.6566
Brugia malayi Cathepsin L-like precursor 0.1445 0.6566 0.6566
Loa Loa (eye worm) hypothetical protein 0.046 0.1221 0.1221
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.1445 0.6566 0.6566
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0311 0.0415 0.0415
Entamoeba histolytica cysteine protease, putative 0.0771 0.2909 0.4054
Echinococcus multilocularis cathepsin b 0.2077 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1445 0.6566 1
Entamoeba histolytica cysteine protease, putative 0.0771 0.2909 0.4054
Entamoeba histolytica cysteine protease, putative 0.0771 0.2909 0.4054
Leishmania major cathepsin L-like protease 0.1445 0.6566 1
Trypanosoma cruzi cysteine protease, putative 0.0771 0.2909 0.2602
Loa Loa (eye worm) hypothetical protein 0.2077 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.081 0.3121 0.3121
Giardia lamblia Cathepsin B precursor 0.0857 0.338 1
Loa Loa (eye worm) hypothetical protein 0.0311 0.0415 0.0415
Brugia malayi Papain family cysteine protease containing protein 0.0311 0.0415 0.0415
Trypanosoma cruzi cruzipain precursor, putative 0.1445 0.6566 0.6417
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1445 0.6566 1
Entamoeba histolytica cysteine protease, putative 0.1445 0.6566 1
Loa Loa (eye worm) hypothetical protein 0.0985 0.4073 0.4073
Toxoplasma gondii cathepsin B 0.0857 0.338 0.4819
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0771 0.2909 0.2909
Leishmania major cathepsin L-like protease 0.1445 0.6566 1
Brugia malayi Cathepsin L-like precursor 0.1445 0.6566 0.6566
Onchocerca volvulus 0.1445 0.6566 1
Entamoeba histolytica cysteine proteinase, putative 0.0771 0.2909 0.4054
Echinococcus granulosus cathepsin L cysteine protease 0.0771 0.2909 0.2909
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1445 0.6566 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1445 0.6566 1
Leishmania major cathepsin L-like protease 0.1445 0.6566 1
Onchocerca volvulus 0.1445 0.6566 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.1445 0.6566 0.6566
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1445 0.6566 1
Entamoeba histolytica cysteine protease, putative 0.0771 0.2909 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1445 0.6566 1
Toxoplasma gondii cathepsin CPL 0.1445 0.6566 1
Plasmodium vivax vivapain-3 0.0771 0.2909 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0985 0.4073 0.5946
Loa Loa (eye worm) cysteine protease 0.1445 0.6566 0.6566
Plasmodium vivax vivapain-2 0.1445 0.6566 1
Trypanosoma cruzi cruzipain precursor, putative 0.046 0.1221 0.084
Trypanosoma cruzi cysteine proteinase, putative 0.0771 0.2909 0.2602
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0311 0.0415 0.0415
Brugia malayi cathepsin Z-like cysteine proteinase 0.0311 0.0415 0.0415
Loa Loa (eye worm) hypothetical protein 0.046 0.1221 0.1221
Echinococcus granulosus cathepsin b 0.2077 1 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.2077 1 1
Brugia malayi Cathepsin L-like precursor 0.1445 0.6566 0.6566
Loa Loa (eye worm) hypothetical protein 0.1445 0.6566 0.6566
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0985 0.4073 0.3816
Onchocerca volvulus 0.1445 0.6566 1
Echinococcus multilocularis cathepsin L cysteine protease 0.1445 0.6566 0.6566
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0311 0.0415 0.0415
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1445 0.6566 1
Entamoeba histolytica cysteine protease, putative 0.0771 0.2909 0.4054
Schistosoma mansoni cathepsin S (C01 family) 0.0311 0.0415 0.0415
Giardia lamblia Cathepsin B precursor 0.0857 0.338 1
Leishmania major cathepsin L-like protease 0.1445 0.6566 1
Onchocerca volvulus 0.1445 0.6566 1
Plasmodium vivax unspecified product 0.046 0.1221 0.1309
Brugia malayi Cathepsin L-like precursor 0.0985 0.4073 0.4073
Giardia lamblia Cathepsin B precursor 0.0857 0.338 1
Schistosoma mansoni hypothetical protein 0.0736 0.2721 0.2721
Loa Loa (eye worm) hypothetical protein 0.046 0.1221 0.1221
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0771 0.2909 0.4054
Brugia malayi Papain family cysteine protease containing protein 0.1445 0.6566 0.6566
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1445 0.6566 1
Brugia malayi Cathepsin L-like precursor 0.0985 0.4073 0.4073
Loa Loa (eye worm) hypothetical protein 0.0985 0.4073 0.4073
Entamoeba histolytica cysteine protease, putative 0.0771 0.2909 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1445 0.6566 1
Entamoeba histolytica cysteine proteinase, putative 0.0985 0.4073 0.5946
Entamoeba histolytica cysteine proteinase, putative 0.0771 0.2909 0.4054
Trypanosoma cruzi cysteine peptidase, putative 0.1445 0.6566 0.6417
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0771 0.2909 0.2602
Echinococcus granulosus potassium voltage gated channel subfamily H 0.081 0.3121 0.3121
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1445 0.6566 1
Leishmania major cysteine peptidase A (CPA) 0.1445 0.6566 1
Entamoeba histolytica cysteine proteinase, putative 0.0771 0.2909 0.4054
Schistosoma mansoni cathepsin B (C01 family) 0.0311 0.0415 0.0415
Brugia malayi Cathepsin L-like cysteine proteinase 0.0985 0.4073 0.4073
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.1445 0.6566 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0857 0.338 0.1287
Loa Loa (eye worm) hypothetical protein 0.0985 0.4073 0.4073
Plasmodium falciparum cysteine proteinase falcipain 1 0.0771 0.2909 0.4054
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0311 0.0415 0.0415
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0985 0.4073 0.5946
Trypanosoma cruzi cysteine peptidase, putative 0.0771 0.2909 0.2602
Onchocerca volvulus 0.1445 0.6566 1
Entamoeba histolytica cysteine proteinase 2 0.0771 0.2909 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1445 0.6566 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.1445 0.6566 1
Leishmania major cathepsin L-like protease 0.1445 0.6566 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1445 0.6566 1
Loa Loa (eye worm) hypothetical protein 0.0703 0.2541 0.2541
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0756 0.2832 0.3928
Trypanosoma cruzi cysteine peptidase, putative 0.1445 0.6566 0.6417
Trypanosoma cruzi cysteine peptidase, putative 0.1445 0.6566 0.6417
Schistosoma mansoni cathepsin F (C01 family) 0.0985 0.4073 0.4073
Brugia malayi Cathepsin L-like precursor 0.1445 0.6566 0.6566
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0311 0.0415 0.0415
Onchocerca volvulus Cathepsin F homolog 0.1445 0.6566 1
Entamoeba histolytica cysteine protease, putative 0.0771 0.2909 0.4054
Entamoeba histolytica cysteine protease, putative 0.0771 0.2909 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1445 0.6566 1
Brugia malayi cathepsin L-like precursor 0.0985 0.4073 0.4073
Entamoeba histolytica cysteine proteinase, putative 0.1445 0.6566 1
Loa Loa (eye worm) hypothetical protein 0.0311 0.0415 0.0415
Loa Loa (eye worm) hypothetical protein 0.0311 0.0415 0.0415
Plasmodium vivax unspecified product 0.0771 0.2909 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0857 0.338 0.4819
Loa Loa (eye worm) papain family cysteine protease containing protein 0.1445 0.6566 0.6566
Echinococcus granulosus cathepsin b 0.2077 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0771 0.2909 0.2909
Echinococcus granulosus cathepsin l1 0.1445 0.6566 0.6566
Plasmodium falciparum cysteine proteinase falcipain 2b 0.1445 0.6566 1

Activities

Activity type Activity value Assay description Source Reference
ED2 (functional) = 0.15 mg kg-1 In vivo antagonism of Angiotensin II induced dose-pressor response in male rats. ChEMBL. No reference
ED2 (functional) = 0.15 mg kg-1 In vivo antagonism of Angiotensin II induced dose-pressor response in male rats. ChEMBL. No reference
pA2 (functional) = 8.9 Potency of the Angiotensin II-induced contraction of rabbit aortic strips ChEMBL. No reference

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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