Detailed information for compound 1827625

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 319.357 | Formula: C19H17N3O2
  • H donors: 0 H acceptors: 3 LogP: 3.41 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)C(=O)CCN2c1nc(C)nc2c1cccc2
  • InChi: 1S/C19H17N3O2/c1-12-20-16-6-4-3-5-14(16)19(21-12)22-10-9-18(23)15-11-13(24-2)7-8-17(15)22/h3-8,11H,9-10H2,1-2H3
  • InChiKey: YDGUDCQXTXPHLC-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tubulin, beta 2B class IIb Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium falciparum tubulin beta chain Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania infantum beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Cryptosporidium hominis beta-catenin-like repeat protein Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin gamma chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Plasmodium vivax tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Brugia malayi Tubulin beta-1 chain Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta-1 chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis tubulin beta 1 chain Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania infantum beta-tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Neospora caninum hypothetical protein Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Plasmodium yoelii tubulin beta chain Get druggable targets OG5_126611 All targets in OG5_126611
Babesia bovis tubulin beta chain Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta-7 chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania mexicana Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus tubulin beta 4A class IVa Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta-4 chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta-1 chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania braziliensis beta-tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Theileria parva tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei gambiense beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) beta-tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma congolense beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma cruzi beta tubulin, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania mexicana beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania mexicana beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum ko:K07375 tubulin beta, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania mexicana beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Giardia lamblia Beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Cryptosporidium parvum tubulin beta chain Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Toxoplasma gondii beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania braziliensis beta-tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) tubulin beta-4 chain Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania braziliensis beta-tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Brugia malayi beta-tubulin, identical Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania mexicana beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) tubulin beta chain Get druggable targets OG5_126611 All targets in OG5_126611
Toxoplasma gondii beta-1 tubulin, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Entamoeba histolytica tubulin family protein Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Plasmodium berghei tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania infantum beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Neospora caninum hypothetical protein Get druggable targets OG5_126611 All targets in OG5_126611
Neospora caninum hypothetical protein Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Entamoeba histolytica tubulin family protein Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) tubulin beta-1 chain Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin alpha chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) BEN-1 protein Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum ko:K07375 tubulin beta, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania braziliensis beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus tubulin beta 1 chain Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Toxoplasma gondii beta-tubulin, putative Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin epsilon chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Giardia lamblia Beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Giardia lamblia Beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis tubulin, beta 4A class IVa Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei gambiense beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) tubulin beta-2A chain Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania infantum beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) BEN-1 protein Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin epsilon chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin, putative Get druggable targets OG5_126611 All targets in OG5_126611

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum tubulin gamma chain tubulin, beta 2B class IIb 445 aa 438 aa 32.9 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Wolbachia endosymbiont of Brugia malayi Xaa-Pro aminopeptidase 0.0018 0 0.5
Leishmania major beta tubulin 0.003 0.0916 0.0916
Echinococcus multilocularis Tubulin beta 2C chain 0.003 0.0916 0.0916
Toxoplasma gondii methionine aminopeptidase 2, putative 0.0146 1 1
Leishmania major beta tubulin 0.003 0.0916 0.0916
Loa Loa (eye worm) BEN-1 protein 0.003 0.0916 0.0916
Trichomonas vaginalis tubulin epsilon chain, putative 0.003 0.0916 0.0916
Trichomonas vaginalis tubulin alpha chain, putative 0.003 0.0916 0.0916
Echinococcus granulosus beta tubulin 0.003 0.0916 0.0916
Entamoeba histolytica methionine aminopeptidase, putative 0.0146 1 1
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.0146 1 1
Leishmania major beta tubulin 0.003 0.0916 0.0916
Loa Loa (eye worm) beta-tubulin 0.003 0.0916 0.0916
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0146 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.003 0.0916 0.0916
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0146 1 1
Loa Loa (eye worm) tubulin beta-2A chain 0.003 0.0916 0.0916
Plasmodium falciparum tubulin beta chain 0.003 0.0916 0.0916
Leishmania major beta tubulin 0.003 0.0916 0.0916
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0146 1 1
Trypanosoma brucei beta tubulin 0.003 0.0916 0.0916
Loa Loa (eye worm) tubulin beta-1 chain 0.003 0.0916 0.0916
Schistosoma mansoni tubulin subunit beta 0.003 0.0916 0.0916
Leishmania major beta tubulin 0.003 0.0916 0.0916
Plasmodium vivax methionine aminopeptidase 2, putative 0.0146 1 1
Schistosoma mansoni tubulin subunit beta 0.003 0.0916 0.0916
Echinococcus multilocularis tubulin, beta 4A class IVa 0.003 0.0916 0.0916
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0018 0 0.5
Schistosoma mansoni tubulin subunit beta 0.003 0.0916 0.0916
Trypanosoma brucei methionine aminopeptidase 2, putative 0.0146 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.003 0.0916 0.0916
Trichomonas vaginalis tubulin, putative 0.003 0.0916 0.0916
Echinococcus granulosus tubulin subunit beta 0.003 0.0916 0.0916
Chlamydia trachomatis aminopeptidase P 0.0018 0 0.5
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0146 1 1
Treponema pallidum aminopeptidase P 0.0018 0 0.5
Echinococcus granulosus tubulin beta 1 chain 0.003 0.0916 0.0916
Leishmania major beta tubulin 0.003 0.0916 0.0916
Trichomonas vaginalis tubulin beta chain, putative 0.003 0.0916 0.0916
Mycobacterium ulcerans methionine aminopeptidase 0.0018 0 0.5
Echinococcus granulosus Tubulin beta 2C chain 0.003 0.0916 0.0916
Chlamydia trachomatis methionine aminopeptidase 0.0018 0 0.5
Mycobacterium ulcerans cytoplasmic peptidase PepQ 0.0018 0 0.5
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0018 0 0.5
Echinococcus multilocularis methionyl aminopeptidase 2 0.0146 1 1
Echinococcus granulosus methionyl aminopeptidase 2 0.0146 1 1
Mycobacterium ulcerans dipeptidase 0.0018 0 0.5
Echinococcus multilocularis tubulin beta 1 chain 0.003 0.0916 0.0916
Leishmania major beta tubulin 0.003 0.0916 0.0916
Leishmania major beta tubulin 0.003 0.0916 0.0916
Schistosoma mansoni tubulin subunit beta 0.003 0.0916 0.0916
Leishmania major beta tubulin 0.003 0.0916 0.0916
Mycobacterium leprae Probable cytoplasmic peptidase PepQ 0.0018 0 0.5
Echinococcus multilocularis Tubulin beta 2C chain 0.003 0.0916 0.0916
Echinococcus granulosus beta tubulin 0.003 0.0916 0.0916
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0146 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.003 0.0916 0.0916
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0018 0 0.5
Toxoplasma gondii beta tubulin 0.003 0.0916 0.0916
Giardia lamblia Methionine aminopeptidase 0.0146 1 1
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0146 1 1
Plasmodium vivax tubulin beta chain, putative 0.003 0.0916 0.0916
Brugia malayi beta-tubulin, identical 0.003 0.0916 0.0916
Mycobacterium tuberculosis Dipeptidase PepE 0.0018 0 0.5
Toxoplasma gondii beta-tubulin, putative 0.003 0.0916 0.0916
Echinococcus granulosus Tubulin beta 2C chain 0.003 0.0916 0.0916
Leishmania major beta tubulin 0.003 0.0916 0.0916
Echinococcus granulosus Tubulin beta 2C chain 0.003 0.0916 0.0916
Loa Loa (eye worm) initiation factor 2-associated protein 0.0146 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.003 0.0916 0.0916
Leishmania major beta tubulin 0.003 0.0916 0.0916
Leishmania major beta tubulin 0.003 0.0916 0.0916
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0146 1 1
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0018 0 0.5
Entamoeba histolytica tubulin family protein 0.003 0.0916 0.0916
Echinococcus multilocularis beta tubulin 0.003 0.0916 0.0916
Leishmania major beta tubulin 0.003 0.0916 0.0916
Loa Loa (eye worm) tubulin beta chain 0.003 0.0916 0.0916
Leishmania major beta tubulin 0.003 0.0916 0.0916
Echinococcus multilocularis Tubulin beta 2C chain 0.003 0.0916 0.0916
Giardia lamblia Beta tubulin 0.003 0.0916 0.0916
Trypanosoma brucei beta tubulin 0.003 0.0916 0.0916
Leishmania major beta tubulin 0.003 0.0916 0.0916
Leishmania major beta tubulin 0.003 0.0916 0.0916
Treponema pallidum methionine aminopeptidase (map) 0.0018 0 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0146 1 1
Entamoeba histolytica tubulin family protein 0.003 0.0916 0.0916
Trypanosoma cruzi beta tubulin, putative 0.003 0.0916 0.0916
Echinococcus multilocularis tubulin subunit beta 0.003 0.0916 0.0916
Leishmania major beta tubulin 0.003 0.0916 0.0916
Loa Loa (eye worm) tubulin beta-4 chain 0.003 0.0916 0.0916
Brugia malayi Tubulin beta-1 chain 0.003 0.0916 0.0916
Echinococcus granulosus tubulin beta 4A class IVa 0.003 0.0916 0.0916
Trypanosoma brucei beta tubulin 0.003 0.0916 0.0916
Schistosoma mansoni tubulin subunit beta 0.003 0.0916 0.0916
Leishmania major methionine aminopeptidase 2, putative 0.0146 1 1
Schistosoma mansoni tubulin subunit beta 0.003 0.0916 0.0916
Mycobacterium ulcerans dipeptidase PepE 0.0018 0 0.5
Plasmodium falciparum methionine aminopeptidase 2 0.0146 1 1
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0018 0 0.5
Loa Loa (eye worm) BEN-1 protein 0.003 0.0916 0.0916
Giardia lamblia Beta tubulin 0.003 0.0916 0.0916
Echinococcus granulosus Tubulin beta 2C chain 0.003 0.0916 0.0916
Echinococcus multilocularis Tubulin beta 2C chain 0.003 0.0916 0.0916
Giardia lamblia Beta tubulin 0.003 0.0916 0.0916
Leishmania major beta tubulin 0.003 0.0916 0.0916
Mycobacterium ulcerans aminopeptidase 0.0018 0 0.5
Toxoplasma gondii beta-1 tubulin, putative 0.003 0.0916 0.0916
Echinococcus multilocularis beta tubulin 0.003 0.0916 0.0916
Trypanosoma brucei beta tubulin 0.003 0.0916 0.0916
Mycobacterium tuberculosis Probable cytoplasmic peptidase PepQ 0.0018 0 0.5
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0018 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.94 uM Inhibition of tubulin (unknown origin) polymerization incubated for 15 mins prior to GTP addition measured after 20 mins by turbidimetry ChEMBL. 24502232
Inhibition (binding) = 56 % Displacement of [3H]colchine from tubulin (unknown origin) at 1 uM after 10 mins ChEMBL. 24502232
Inhibition (binding) = 87 % Displacement of [3H]colchine from tubulin (unknown origin) at 5 uM after 10 mins ChEMBL. 24502232
T1/2 (ADMET) = 20.89 min Half life in human liver microsomes at 1 uM by LC-MS analysis ChEMBL. 24502232

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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