Detailed information for compound 1845833

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 315.754 | Formula: C16H14ClN3O2
  • H donors: 1 H acceptors: 3 LogP: 2.14 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)C1C(Cl)C(=O)N1NC(=O)c1ccncc1
  • InChi: 1S/C16H14ClN3O2/c1-10-2-4-11(5-3-10)14-13(17)16(22)20(14)19-15(21)12-6-8-18-9-7-12/h2-9,13-14H,1H3,(H,19,21)
  • InChiKey: YGRBMKMKAMXYSQ-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
Loa Loa (eye worm) hypothetical protein 0.0102 0.1612 0.1951
Echinococcus granulosus Zinc carboxypeptidase family protein 0.0102 0.1612 0.1612
Echinococcus granulosus cytosolic carboxypeptidase protein 5 0.0102 0.1612 0.1612
Giardia lamblia Nuclear ATP/GTP-binding protein 0.0102 0.1612 0.5
Brugia malayi Zinc carboxypeptidase family protein 0.0102 0.1612 1
Schistosoma mansoni protease m14 carboxypeptidase 0.0102 0.1612 0.1612
Onchocerca volvulus 0.0593 1 1
Trypanosoma cruzi metallo-peptidase, Clan MC, Family M14, putative 0.0102 0.1612 1
Onchocerca volvulus Subfamily M14A unassigned peptidase homolog 0.0593 1 1
Loa Loa (eye worm) hypothetical protein 0.0491 0.8262 1
Trypanosoma brucei Carboxypeptidase-like protein 0.0102 0.1612 1
Brugia malayi Zinc carboxypeptidase family protein 0.0102 0.1612 1
Schistosoma mansoni voltage-gated potassium channel 0.0041 0.0573 0.0573
Loa Loa (eye worm) zinc carboxypeptidase 0.0102 0.1612 0.1951
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0087 0.0105
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0102 0.1612 1
Onchocerca volvulus 0.0593 1 1
Brugia malayi Cytochrome P450 family protein 0.0013 0.0087 0.0539
Loa Loa (eye worm) hypothetical protein 0.0102 0.1612 0.1951
Leishmania major zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14 0.0102 0.1612 1
Schistosoma mansoni hypothetical protein 0.0102 0.1612 0.1612
Loa Loa (eye worm) zinc carboxypeptidase 0.0102 0.1612 0.1951
Toxoplasma gondii flagellar/basal body protein 0.0102 0.1612 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0087 0.0105
Schistosoma mansoni subfamily M14A unassigned peptidase (M14 family) 0.0593 1 1
Echinococcus multilocularis voltage gated potassium channel 0.0011 0.0059 0.0059
Brugia malayi Zinc carboxypeptidase family protein 0.0102 0.1612 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.1612 0.1951
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0011 0.0059 0.0365
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0102 0.1612 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0038 0.0514 0.0514
Echinococcus multilocularis 0.0102 0.1612 0.1612
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0102 0.1612 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0038 0.0514 0.0514
Brugia malayi Carboxypeptidase A2 precursor 0.0102 0.1612 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.1612 0.1951
Echinococcus granulosus cytosolic carboxypeptidase 1 0.0102 0.1612 0.1612
Plasmodium vivax hypothetical protein, conserved 0.0102 0.1612 0.5
Loa Loa (eye worm) CYP4Cod1 0.0013 0.0087 0.0105
Brugia malayi Zinc carboxypeptidase family protein 0.0102 0.1612 1
Schistosoma mansoni family M14 non-peptidase homologue (M14 family) 0.0102 0.1612 0.1612
Trypanosoma cruzi zinc carboxypeptidase, putative 0.0102 0.1612 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.0472 0.2929
Loa Loa (eye worm) zinc carboxypeptidase 0.0102 0.1612 0.1951
Brugia malayi Zinc carboxypeptidase family protein 0.0102 0.1612 1
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0059 0.0059
Echinococcus multilocularis subfamily M14A unassigned peptidase 0.0593 1 1
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0102 0.1612 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0025 0.0031
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0102 0.1612 1
Brugia malayi Zinc carboxypeptidase family protein 0.0102 0.1612 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.1612 0.1951
Echinococcus granulosus voltage gated potassium channel 0.0011 0.0059 0.0059
Leishmania major zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14 0.0102 0.1612 1
Trypanosoma cruzi metallo-peptidase, Clan MC, Family M14 0.0102 0.1612 1
Toxoplasma gondii zinc carboxypeptidase superfamily protein 0.0102 0.1612 0.5
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0102 0.1612 1
Schistosoma mansoni metallocarboxypeptidase D peptidase unit 2 (M14 family) 0.0102 0.1612 0.1612
Loa Loa (eye worm) hypothetical protein 0.0033 0.043 0.052
Onchocerca volvulus 0.0593 1 1
Echinococcus multilocularis Zinc carboxypeptidase family protein 0.0102 0.1612 0.1612
Giardia lamblia Nuclear ATP/GTP-binding protein 0.0102 0.1612 0.5
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0038 0.0514 0.0622
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0102 0.1612 1
Echinococcus multilocularis cytosolic carboxypeptidase protein 5 0.0102 0.1612 0.1612
Trypanosoma cruzi metallo-peptidase, Clan MC, Family M14, putative 0.0102 0.1612 1
Schistosoma mansoni peptidase 0.0102 0.1612 0.1612
Brugia malayi Cytochrome P450 family protein 0.0013 0.0087 0.0539
Loa Loa (eye worm) hypothetical protein 0.0102 0.1612 0.1951
Loa Loa (eye worm) hypothetical protein 0.0102 0.1612 0.1951
Onchocerca volvulus 0.0593 1 1
Leishmania major zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14 0.0102 0.1612 1
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0102 0.1612 1
Brugia malayi Zinc carboxypeptidase family protein 0.0102 0.1612 1
Brugia malayi Zinc carboxypeptidase family protein 0.0102 0.1612 1
Giardia lamblia Nuclear ATP/GTP-binding protein 0.0102 0.1612 0.5
Schistosoma mansoni peptidase 0.0102 0.1612 0.1612
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0102 0.1612 1
Schistosoma mansoni carboxypeptidase N (M14 family) 0.0102 0.1612 0.1612
Trypanosoma brucei metallo-peptidase, Clan MC, Family M14, putative 0.0102 0.1612 1
Toxoplasma gondii zinc carboxypeptidase, putative 0.0102 0.1612 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0059 0.0071
Toxoplasma gondii zinc carboxypeptidase superfamily protein 0.0102 0.1612 0.5
Trypanosoma brucei metallo-peptidase, Clan MC, Family M14, putative 0.0102 0.1612 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.0472 0.2929
Loa Loa (eye worm) zinc carboxypeptidase 0.0102 0.1612 0.1951
Trypanosoma cruzi Carboxypeptidase-like protein 0.0102 0.1612 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.1612 0.1951
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0102 0.1612 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0011 0.0059 0.0059
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0013 0.0087 0.5
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0038 0.0514 0.3191
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0011 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.0102 0.1612 0.1951
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0102 0.1612 1
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0059 0.0059
Schistosoma mansoni peptidase 0.0102 0.1612 0.1612
Loa Loa (eye worm) hypothetical protein 0.0102 0.1612 0.1951
Schistosoma mansoni voltage-gated potassium channel 0.0041 0.0573 0.0573

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) Neurotoxicity in Mus musculus (mouse) assessed as minimal motor impairment at 300 mg/kg, ip after 0.5 hr by rotarod test ChEMBL. No reference
Activity (ADMET) Neurotoxicity in Mus musculus (mouse) assessed as minimal motor impairment at 300 mg/kg, ip after 4 hr by rotarod test ChEMBL. No reference
Activity (ADMET) = 21.66 % Neurotoxicity in Mus musculus (mouse) assessed as increase in immobility time at 30 mg/kg, ip administered 30 min before test measured for 5 min by forced swimming test ChEMBL. No reference
MED (functional) = 30 mg kg-1 Anticonvulsant activity in ip dosed Mus musculus (mouse) assessed as protection against maximal electroshock-induced seizure after 0.5 hr ChEMBL. No reference
MED (functional) = 30 mg kg-1 Anticonvulsant activity in ip dosed Mus musculus (mouse) assessed as protection against subcutaneous pentylene tetrazole-induced seizure after 4 hr ChEMBL. No reference
MED (functional) = 30 mg kg-1 Anticonvulsant activity in ip dosed Mus musculus (mouse) assessed as protection against maximal electroshock-induced seizure after 4 hr ChEMBL. No reference
MED (functional) = 100 mg kg-1 Anticonvulsant activity in ip dosed Mus musculus (mouse) assessed as protection against subcutaneous pentylene tetrazole-induced seizure after 0.5 hr 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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