Detailed information for compound 2003001

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 337.412 | Formula: C21H23NO3
  • H donors: 2 H acceptors: 2 LogP: 3.54 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)C#Cc1ccc(cc1)C(NC(=O)C(O)C)C
  • InChi: 1S/C21H23NO3/c1-4-25-20-13-9-18(10-14-20)6-5-17-7-11-19(12-8-17)15(2)22-21(24)16(3)23/h7-16,23H,4H2,1-3H3,(H,22,24)
  • InChiKey: WNFSSHPMPIQPIE-UHFFFAOYSA-N  


Substructure search Similarity search

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 acetyl-CoA carboxylase beta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense acetyl-CoA carboxylase Get druggable targets OG5_127493 All targets in OG5_127493
Neospora caninum hypothetical protein Get druggable targets OG5_127493 All targets in OG5_127493
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative Get druggable targets OG5_127493 All targets in OG5_127493
Plasmodium knowlesi biotin carboxylase subunit of acetyl CoA carboxylase, putative Get druggable targets OG5_127493 All targets in OG5_127493
Schistosoma japonicum ko:K01946 biotin carboxylase [EC6.3.4.14], putative Get druggable targets OG5_127493 All targets in OG5_127493
Brugia malayi Carboxyl transferase domain containing protein Get druggable targets OG5_127493 All targets in OG5_127493
Leishmania donovani acetyl-CoA carboxylase Get druggable targets OG5_127493 All targets in OG5_127493
Trypanosoma cruzi acetyl-CoA carboxylase Get druggable targets OG5_127493 All targets in OG5_127493
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127493 All targets in OG5_127493
Schistosoma mansoni acetyl-CoA carboxylase Get druggable targets OG5_127493 All targets in OG5_127493
Neospora caninum hypothetical protein Get druggable targets OG5_127493 All targets in OG5_127493
Plasmodium yoelii acetyl-CoA carboxylase 1 precursor-related Get druggable targets OG5_127493 All targets in OG5_127493
Toxoplasma gondii acetyl-coA carboxylase ACC2 Get druggable targets OG5_127493 All targets in OG5_127493
Toxoplasma gondii acetyl-CoA carboxylase ACC1 Get druggable targets OG5_127493 All targets in OG5_127493
Leishmania infantum acetyl-CoA carboxylase, putative Get druggable targets OG5_127493 All targets in OG5_127493
Schistosoma japonicum Acetyl-CoA carboxylase, putative Get druggable targets OG5_127493 All targets in OG5_127493
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative Get druggable targets OG5_127493 All targets in OG5_127493
Leishmania mexicana acetyl-CoA carboxylase, putative Get druggable targets OG5_127493 All targets in OG5_127493
Leishmania braziliensis acetyl-CoA carboxylase, putative Get druggable targets OG5_127493 All targets in OG5_127493
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 Get druggable targets OG5_127493 All targets in OG5_127493
Plasmodium berghei biotin carboxylase subunit of acetyl CoA carboxylase, putative Get druggable targets OG5_127493 All targets in OG5_127493
Echinococcus granulosus acetyl coenzyme A carboxylase 1 Get druggable targets OG5_127493 All targets in OG5_127493
Schistosoma japonicum ko:K01961 acetyl-CoA carboxylase [EC6.4.1.2], putative Get druggable targets OG5_127493 All targets in OG5_127493
Cryptosporidium parvum acetyl-CoA carboxylase like biotin dependent carboxylase involved in fatty acid biosynthesis Get druggable targets OG5_127493 All targets in OG5_127493
Schistosoma japonicum Acetyl-CoA carboxylase, putative Get druggable targets OG5_127493 All targets in OG5_127493
Loa Loa (eye worm) carboxyl transferase domain-containing protein Get druggable targets OG5_127493 All targets in OG5_127493
Cryptosporidium hominis acetyl-CoA carboxylase 2 Get druggable targets OG5_127493 All targets in OG5_127493
Trypanosoma congolense acetyl-CoA carboxylase Get druggable targets OG5_127493 All targets in OG5_127493
Trypanosoma brucei acetyl-CoA carboxylase Get druggable targets OG5_127493 All targets in OG5_127493
Candida albicans acetyl-CoA carboxylase Get druggable targets OG5_127493 All targets in OG5_127493
Trypanosoma brucei gambiense acetyl-CoA carboxylase, putative Get druggable targets OG5_127493 All targets in OG5_127493
Leishmania major acetyl-CoA carboxylase, putative Get druggable targets OG5_127493 All targets in OG5_127493
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 0.0084 0.3803 0.3628
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0039 0.0278 0.5
Echinococcus granulosus nAChR subunit 0.0045 0.0782 0.1031
Loa Loa (eye worm) hypothetical protein 0.0045 0.0782 0.0522
Echinococcus granulosus acetyl coenzyme A carboxylase 1 0.0101 0.5195 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0084 0.3803 0.3628
Schistosoma mansoni nAChR subunit 0.0084 0.3803 0.3628
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0084 0.3803 0.3628
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0084 0.3803 0.3628
Loa Loa (eye worm) hypothetical protein 0.0084 0.3803 0.3628
Loa Loa (eye worm) hypothetical protein 0.0084 0.3803 0.3628
Loa Loa (eye worm) hypothetical protein 0.0163 1 1
Echinococcus granulosus nAChR subunit 0.0084 0.3803 0.7171
Loa Loa (eye worm) ACC-1 protein 0.0084 0.3803 0.3628
Leishmania major acetyl-CoA carboxylase, putative 0.0101 0.5195 1
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0084 0.3803 0.3628
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0039 0.0278 0.5
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.0098 0.4917 0.4773
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0084 0.3803 0.7171
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0084 0.3803 0.3628
Onchocerca volvulus 0.0084 0.3803 0.3628
Chlamydia trachomatis biotin carboxylase 0.0035 0 0.5
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0045 0.0782 0.0522
Loa Loa (eye worm) hypothetical protein 0.0045 0.0782 0.0522
Entamoeba histolytica hypothetical protein 0.0045 0.0782 0.5
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0084 0.3803 0.3628
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0084 0.3803 0.3628
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0084 0.3803 0.3628
Loa Loa (eye worm) hypothetical protein 0.0045 0.0782 0.0522
Loa Loa (eye worm) hypothetical protein 0.0084 0.3803 0.3628
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0084 0.3803 0.7171
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0084 0.3803 0.3628
Echinococcus multilocularis nAChR subunit 0.0084 0.3803 0.7171
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0084 0.3803 0.7171
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0084 0.3803 0.7171
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0084 0.3803 0.3628
Loa Loa (eye worm) hypothetical protein 0.0084 0.3803 0.3628
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0084 0.3803 0.3628
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0084 0.3803 0.7171
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0084 0.3803 0.3628
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0039 0.0278 0.0004
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0084 0.3803 0.7171
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0084 0.3803 0.3628
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0039 0.0278 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.0782 0.0522
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0045 0.0782 0.0522
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0084 0.3803 0.7171
Loa Loa (eye worm) hypothetical protein 0.0084 0.3803 0.3628
Loa Loa (eye worm) GABA receptor subunit 0.0045 0.0782 0.0522
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0084 0.3803 0.3628
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0084 0.3803 0.7171
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0084 0.3803 0.7171
Onchocerca volvulus 0.0045 0.0782 0.0522
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0084 0.3803 0.7171
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0039 0.0278 0.0008
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0084 0.3803 0.3628
Onchocerca volvulus 0.0163 1 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0084 0.3803 0.7171
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0084 0.3803 0.3628
Schistosoma mansoni nAChR subunit 0.0084 0.3803 0.3628
Schistosoma mansoni nAChR subunit 0.0084 0.3803 0.3628
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0084 0.3803 0.3628
Loa Loa (eye worm) LGC-31 protein 0.0084 0.3803 0.3628
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0084 0.3803 0.3628
Echinococcus multilocularis nAChR subunit 0.0045 0.0782 0.1031
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0163 1 1
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.0101 0.5195 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0084 0.3803 0.3628
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0039 0.0278 0.0004
Onchocerca volvulus Putative nachr subunit 0.0084 0.3803 0.3628
Brugia malayi Cation transporter family protein 0.0084 0.3803 0.3628
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0084 0.3803 0.3628
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0045 0.0782 0.0522
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0084 0.3803 0.3628
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0039 0.0278 0.0008
Brugia malayi Carboxyl transferase domain containing protein 0.0098 0.4917 0.4773
Trypanosoma cruzi acetyl-CoA carboxylase 0.0063 0.217 1
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0084 0.3803 0.7171
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0084 0.3803 0.3628
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0084 0.3803 0.7171
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0045 0.0782 0.0522
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0084 0.3803 0.7171
Schistosoma mansoni nAChR subunit 0.0084 0.3803 0.3628
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0084 0.3803 0.3628
Loa Loa (eye worm) hypothetical protein 0.0124 0.6979 0.6894
Onchocerca volvulus 0.0084 0.3803 0.3628
Schistosoma mansoni neurotransmitter gated ion channel 0.0045 0.0782 0.0522
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0039 0.0278 0.5
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0084 0.3803 0.7171
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0084 0.3803 0.3628
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0084 0.3803 0.3628
Loa Loa (eye worm) hypothetical protein 0.0084 0.3803 0.3628
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0073 0.3 0.5
Loa Loa (eye worm) hypothetical protein 0.0084 0.3803 0.3628
Loa Loa (eye worm) hypothetical protein 0.0045 0.0782 0.0522
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0045 0.0782 0.0522
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0084 0.3803 0.7171
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.0101 0.5195 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0084 0.3803 0.7171
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0084 0.3803 0.7171
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.0101 0.5195 1
Onchocerca volvulus 0.0163 1 1
Trypanosoma brucei acetyl-CoA carboxylase 0.0101 0.5195 1
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0084 0.3803 0.7171
Echinococcus multilocularis glycine receptor subunit beta 0.0084 0.3803 0.7171
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0084 0.3803 0.7171
Loa Loa (eye worm) hypothetical protein 0.0084 0.3803 0.3628
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0039 0.0278 0.5
Schistosoma mansoni pyruvate carboxylase 0.0039 0.0278 0.0004
Echinococcus granulosus glycine receptor subunit beta 0.0084 0.3803 0.7171
Loa Loa (eye worm) hypothetical protein 0.0084 0.3803 0.3628
Loa Loa (eye worm) hypothetical protein 0.0084 0.3803 0.3628
Loa Loa (eye worm) hypothetical protein 0.0163 1 1
Schistosoma mansoni acetyl-CoA carboxylase 0.0101 0.5195 0.5059
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0045 0.0782 0.0522
Onchocerca volvulus 0.0163 1 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0039 0.0278 0.5
Loa Loa (eye worm) ACC-1 protein 0.0084 0.3803 0.3628
Loa Loa (eye worm) hypothetical protein 0.0045 0.0782 0.0522
Loa Loa (eye worm) hypothetical protein 0.0045 0.0782 0.0522
Onchocerca volvulus 0.0084 0.3803 0.3628
Loa Loa (eye worm) hypothetical protein 0.0084 0.3803 0.3628
Loa Loa (eye worm) hypothetical protein 0.0084 0.3803 0.3628
Schistosoma mansoni nAChR subunit 0.0084 0.3803 0.3628
Brugia malayi excitatory GABA receptor EXP-1A 0.0084 0.3803 0.3628
Loa Loa (eye worm) hypothetical protein 0.0084 0.3803 0.3628
Loa Loa (eye worm) hypothetical protein 0.0045 0.0782 0.0522
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0073 0.3 0.5
Brugia malayi Cation transporter family protein 0.0084 0.3803 0.3628
Echinococcus granulosus glycine receptor subunit beta 0.0084 0.3803 0.7171
Onchocerca volvulus 0.0045 0.0782 0.0522
Loa Loa (eye worm) hypothetical protein 0.0084 0.3803 0.3628
Schistosoma mansoni nAChR subunit 0.0084 0.3803 0.3628
Loa Loa (eye worm) hypothetical protein 0.0084 0.3803 0.3628
Mycobacterium ulcerans pyruvate carboxylase 0.0039 0.0278 0.5
Schistosoma mansoni nAChR subunit 0.0084 0.3803 0.3628
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0039 0.0278 0.5
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0163 1 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.3803 0.3628
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0084 0.3803 0.3628
Echinococcus multilocularis glycine receptor subunit beta 0.0084 0.3803 0.7171
Echinococcus granulosus glycine receptor subunit alpha 1 0.0084 0.3803 0.7171

Activities

No activities found for this compound.

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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