TDR Targets

Basic information

Technical information

TDR Targets ID: 1295024
Name: N-(2,3-dimethylquinoxalin-6-yl)-2,6-dimethoxy benzamide
MW: 337.372 | Formula: C19H19N3O3
H donors: 1 H acceptors: 3 LogP: 2.79 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1C(=O)Nc1ccc2c(c1)nc(c(n2)C)C)OC
InChi: 1S/C19H19N3O3/c1-11-12(2)21-15-10-13(8-9-14(15)20-11)22-19(23)18-16(24-3)6-5-7-17(18)25-4/h5-10H,1-4H3,(H,22,23)
InChiKey: WIHGRLJFGOEJIY-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

N-(2,3-dimethylquinoxalin-6-yl)-2,6-dimethoxy-benzamide
N-(2,3-dimethyl-6-quinoxalinyl)-2,6-dimethoxybenzamide
ZINC04520616
MLS001208695
SMR000525160
BAS 14051412
N-(2,3-Dimethyl-quinoxalin-6-yl)-2,6-dimethoxy-benzamide
A3861/0164009

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Homo sapiens	muscleblind-like splicing regulator 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	muscleblind protein 1	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Brugia malayi	Muscleblind-like protein	Get druggable targets OG5_132352	All targets in OG5_132352
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	ATP binding cassette sub family G	0.0012	0.008	0.0076
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.0065	0.2748	0.269
Schistosoma mansoni	tar DNA-binding protein	0.0197	0.9532	0.9532
Mycobacterium ulcerans	component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD	0.0065	0.2748	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0143	0.6766	0.6765
Echinococcus multilocularis	ATP binding cassette sub family B	0.0065	0.2748	0.2745
Echinococcus multilocularis	muscleblind protein	0.018	0.8687	0.8687
Loa Loa (eye worm)	hypothetical protein	0.0062	0.2627	0.2627
Brugia malayi	TAR-binding protein	0.0197	0.9532	0.9532
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0143	0.6766	0.6766
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0697	0.0622
Schistosoma mansoni	multidrug resistance protein	0.0065	0.2748	0.2748
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.0065	0.2748	0.269
Echinococcus granulosus	multidrug resistance associated protein 1	0.0065	0.2748	0.2745
Giardia lamblia	Multidrug resistance-associated protein 1	0.0065	0.2748	1
Echinococcus granulosus	ATP binding cassette sub family G	0.0012	0.008	0.0076
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0197	0.9532	0.9532
Loa Loa (eye worm)	hypothetical protein	0.0065	0.2748	0.2748
Schistosoma mansoni	tar DNA-binding protein	0.0197	0.9532	0.9532
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0204	0.9879	0.9879
Echinococcus granulosus	ATP binding cassette sub family G	0.0012	0.008	0.0076
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0065	0.2748	0.269
Schistosoma mansoni	multidrug resistance protein	0.0062	0.2627	0.2627
Trypanosoma cruzi	multidrug resistance protein E, putative	0.0065	0.2748	1
Entamoeba histolytica	P-glycoprotein 5, putative	0.0062	0.2627	0.2568
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0065	0.2748	0.269
Brugia malayi	ABC transporter family protein	0.0065	0.2748	0.2748
Plasmodium vivax	ABC transporter B family member 4, putative	0.0065	0.2748	0.269
Schistosoma mansoni	tar DNA-binding protein	0.0197	0.9532	0.9532
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0065	0.2748	0.5
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0065	0.2748	1
Echinococcus multilocularis	ATP binding cassette sub family G	0.0012	0.008	0.0076
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0697	0.0622
Schistosoma mansoni	hypothetical protein	0.0011	0.0004	0.0004
Brugia malayi	ABC transporter transmembrane region family protein	0.0065	0.2748	0.2748
Echinococcus granulosus	ATP binding cassette sub family B	0.0062	0.2627	0.2624
Leishmania major	ATP-binding cassette protein subfamily C, member 8, putative	0.0065	0.2748	0.269
Loa Loa (eye worm)	hypothetical protein	0.0204	0.9879	0.9879
Entamoeba histolytica	hypothetical protein	0.0065	0.2748	0.269
Trypanosoma brucei	ABC transporter, mitochondrial, putative	0.0065	0.2748	1
Brugia malayi	ABC transporter family protein	0.0065	0.2748	0.2748
Entamoeba histolytica	P-glycoprotein 6, putative	0.0065	0.2748	0.269
Entamoeba histolytica	ABC transporter, putative	0.0065	0.2748	0.269
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0065	0.2748	0.269
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0065	0.2748	0.269
Echinococcus granulosus	ATP binding cassette sub family B	0.0065	0.2748	0.2745
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0143	0.6766	0.6766
Plasmodium vivax	ABC transporter B family member 5, putative	0.0065	0.2748	0.269
Schistosoma mansoni	smdr1	0.0065	0.2748	0.2748
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0143	0.6766	0.6765
Giardia lamblia	Multidrug resistance-associated protein 1	0.0065	0.2748	1
Brugia malayi	ABC transporter	0.0065	0.2748	0.2748
Loa Loa (eye worm)	TAR-binding protein	0.0197	0.9532	0.9532
Schistosoma mansoni	ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7)	0.0065	0.2748	0.2748
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0065	0.2748	0.269
Brugia malayi	hypothetical protein	0.0025	0.0697	0.0697
Trypanosoma cruzi	ABC transporter of the mitochondrion, putative	0.0065	0.2748	1
Echinococcus multilocularis		0.0065	0.2748	0.2745
Plasmodium vivax	ABC transporter B family member 3, putative	0.0065	0.2748	0.269
Leishmania major	pentamidine resistance protein 1	0.0065	0.2748	0.269
Echinococcus multilocularis	ATP binding cassette sub family B	0.0204	0.9879	0.9879
Echinococcus multilocularis	ATP binding cassette sub family B	0.0065	0.2748	0.2745
Entamoeba histolytica	multidrug resistance protein, putative	0.0065	0.2748	0.269
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0143	0.6766	0.6766
Loa Loa (eye worm)	ABC transporter	0.0065	0.2748	0.2748
Schistosoma mansoni	multidrug resistance protein	0.0065	0.2748	0.2748
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0697	0.2314
Echinococcus granulosus	muscleblind protein	0.018	0.8687	0.8687
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0065	0.2748	1
Echinococcus multilocularis	ATP binding cassette sub family G	0.0012	0.008	0.0076
Loa Loa (eye worm)	RNA binding protein	0.0197	0.9532	0.9532
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0143	0.6766	0.6765
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0697	0.0622
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0697	0.2314
Loa Loa (eye worm)	hypothetical protein	0.0065	0.2748	0.2748
Plasmodium falciparum	multidrug resistance-associated protein 1	0.0065	0.2748	0.269
Leishmania major	p-glycoprotein e	0.0065	0.2748	0.269
Echinococcus granulosus	multidrug resistance protein 1	0.0144	0.6813	0.6812
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0065	0.2748	0.269
Schistosoma mansoni	multidrug resistance protein	0.0065	0.2748	0.2748
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0697	0.0622
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0065	0.2748	1
Schistosoma mansoni	multidrug resistance protein	0.0065	0.2748	0.2748
Echinococcus granulosus	tar DNA binding protein	0.0197	0.9532	0.9531
Plasmodium vivax	multidrug resistance protein 2, putative	0.0065	0.2748	0.269
Brugia malayi	RNA binding protein	0.0197	0.9532	0.9532
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0065	0.2748	0.269
Brugia malayi	P-glycoprotein-like protein	0.0065	0.2748	0.2748
Plasmodium falciparum	ABC transporter B family member 7, putative	0.0065	0.2748	0.269
Leishmania major	ATP-binding cassette protein subfamily C, member 2, putative	0.0065	0.2748	0.269
Brugia malayi	RNA recognition motif domain containing protein	0.0197	0.9532	0.9532
Toxoplasma gondii	ATP-binding cassette sub-family B member 5	0.0065	0.2748	0.269
Schistosoma mansoni	tar DNA-binding protein	0.0197	0.9532	0.9532
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0065	0.2748	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.2627	0.2627
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0697	0.2314
Plasmodium falciparum	ABC transporter B family member 6, putative	0.0065	0.2748	0.269
Plasmodium vivax	multidrug resistance-associated protein 2, putative	0.0065	0.2748	0.269
Plasmodium falciparum	ABC transporter B family member 4, putative	0.0065	0.2748	0.269
Entamoeba histolytica	P-glycoprotein 6, putative	0.0065	0.2748	0.269
Loa Loa (eye worm)	hypothetical protein	0.018	0.8687	0.8687
Echinococcus granulosus	multidrug resistance associated protein 7	0.0065	0.2748	0.2745
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0065	0.2748	0.0164
Giardia lamblia	ABC transporter, putative	0.0065	0.2748	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0144	0.6813	0.6812
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.0065	0.2748	0.269
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0065	0.2748	0.5
Brugia malayi	hypothetical protein	0.0016	0.0252	0.0252
Echinococcus multilocularis	ATP binding cassette sub family B	0.0065	0.2748	0.2745
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0065	0.2748	0.269
Schistosoma mansoni	ATP-binding cassette sub-family g2 (white protein) (abcg2)	0.0012	0.008	0.008
Echinococcus granulosus	multidrug resistance protein 1	0.0144	0.6813	0.6812
Loa Loa (eye worm)	hypothetical protein	0.0065	0.2748	0.2748
Echinococcus multilocularis	ATP binding cassette sub family B	0.0065	0.2748	0.2745
Trypanosoma brucei	multidrug resistance protein E	0.0065	0.2748	1
Brugia malayi	Muscleblind-like protein	0.018	0.8687	0.8687
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.0065	0.2748	0.2748
Schistosoma mansoni	multidrug resistance protein	0.0065	0.2748	0.2748
Plasmodium vivax	ABC transporter B family member 7, putative	0.0065	0.2748	0.269
Plasmodium falciparum	multidrug resistance-associated protein 2	0.0065	0.2748	0.269
Loa Loa (eye worm)	ABC transporter	0.0065	0.2748	0.2748
Leishmania major	hypothetical protein, conserved	0.0025	0.0697	0.0622
Echinococcus granulosus	ATP binding cassette sub family G	0.0012	0.008	0.0076
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0065	0.2748	1
Entamoeba histolytica	P-glycoprotein-2, putative	0.0062	0.2627	0.2568
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0143	0.6766	0.6765
Leishmania major	ATP-binding cassette protein subfamily B, member 3, putative	0.0065	0.2748	0.269
Brugia malayi	ABC transporter transmembrane region family protein	0.0065	0.2748	0.2748
Toxoplasma gondii	ABC transporter, putative	0.0065	0.2748	0.269
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0144	0.6813	0.5678
Trypanosoma brucei	p-glycoprotein	0.0065	0.2748	1
Brugia malayi	multidrug Resistance Protein family member (mrp-5), putative	0.0065	0.2748	0.2748
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0065	0.2748	0.269
Wolbachia endosymbiont of Brugia malayi	ABC-type protease secretion system, ATPase and permease component, AprD	0.0065	0.2748	0.5
Leishmania major	ABC-thiol transporter	0.0065	0.2748	0.269
Loa Loa (eye worm)	hypothetical protein	0.018	0.8687	0.8687
Echinococcus multilocularis	multidrug resistance associated protein 7	0.0065	0.2748	0.2745
Giardia lamblia	MRP-like ABC transporter	0.0065	0.2748	1
Echinococcus multilocularis	tar DNA binding protein	0.0197	0.9532	0.9531
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0143	0.6766	0.6766
Loa Loa (eye worm)	ABC transporter	0.0065	0.2748	0.2748
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0065	0.2748	1
Schistosoma mansoni	ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6)	0.0062	0.2627	0.2627
Echinococcus multilocularis	muscleblind protein 1	0.018	0.8687	0.8687
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0065	0.2748	1
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0065	0.2748	0.269
Echinococcus granulosus	ATP binding cassette sub family B	0.0065	0.2748	0.2745
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0143	0.6766	0.6766
Plasmodium falciparum	ABC transporter B family member 3, putative	0.0065	0.2748	0.269
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0697	0.0697
Mycobacterium ulcerans	drugs-transport transmembrane ATP-binding protein ABC transporter	0.0065	0.2748	1
Brugia malayi	multidrug resistance related protein 1	0.0065	0.2748	0.2748
Plasmodium falciparum	ABC transporter B family member 5, putative	0.0065	0.2748	0.269
Trypanosoma cruzi	ABC transporter, mitochondrial, putative	0.0065	0.2748	1
Echinococcus multilocularis	multidrug resistance associated protein 1	0.0065	0.2748	0.2745
Plasmodium falciparum	multidrug resistance protein 2	0.0065	0.2748	0.269
Trypanosoma brucei	ABC transporter of the mitochondrion, putative	0.0065	0.2748	1
Brugia malayi	hypothetical protein	0.0065	0.2748	0.2748
Brugia malayi	ABC transporter transmembrane region family protein	0.0062	0.2627	0.2627
Wolbachia endosymbiont of Brugia malayi	ABC-type multidrug transport system, ATPase and permease component	0.0065	0.2748	0.5
Brugia malayi	ABC transporter family protein	0.0065	0.2748	0.2748
Plasmodium vivax	multidrug resistance-associated protein 1, putative	0.0065	0.2748	0.269
Plasmodium vivax	ABC transporter B family member 6, putative	0.0065	0.2748	0.269
Leishmania major	ATP-binding cassette protein subfamily B, member 1, putative	0.0065	0.2748	0.269
Schistosoma mansoni	tar DNA-binding protein	0.0197	0.9532	0.9532
Toxoplasma gondii	ABC transporter family protein	0.0065	0.2748	0.269
Brugia malayi	ABC transporter	0.0062	0.2627	0.2627

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	7.3753 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	19.9526 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	63.0957 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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

ChEMBL: CHEMBL1404994

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1295024