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

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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