Detailed information for compound 1637799

Basic information

Technical information
  • TDR Targets ID: 1637799
  • Name: 1-methyl-3-nitroso-1,3-di(prop-2-ynyl)urea
  • MW: 179.176 | Formula: C8H9N3O2
  • H donors: 0 H acceptors: 2 LogP: -0.33 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C#CCN(C(=O)N(CC#C)N=O)C
  • InChi: 1S/C8H9N3O2/c1-4-6-10(3)8(12)11(9-13)7-5-2/h1-2H,6-7H2,3H3
  • InChiKey: ZCMYUJYDAHASLH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-methyl-3-nitroso-1,3-dipropargyl-urea
  • NCI60_011617
  • 1-((Methyl(2-propynyl)amino)carbonyl)-2-oxo-1-(2-propynyl)hydrazine
  • AIDS-135312
  • AIDS135312
  • NSC634776

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
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0412 0.064 0.064
Schistosoma mansoni inositol monophosphatase 0.0036 0.002 0.0282
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0101 0.0128 0.1965
Loa Loa (eye worm) oxidoreductase 0.0412 0.064 0.1736
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0031 0.0012 0.0026
Trypanosoma brucei C-8 sterol isomerase, putative 0.2252 0.3679 1
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0031 0.0012 0.0026
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0031 0.0012 0.0026
Loa Loa (eye worm) hypothetical protein 0.0031 0.0012 0.0026
Echinococcus multilocularis nmda type glutamate receptor 0.0033 0.0015 0.0208
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0031 0.0012 0.0147
Loa Loa (eye worm) hypothetical protein 0.0031 0.0012 0.0026
Trypanosoma cruzi C-8 sterol isomerase, putative 0.2252 0.3679 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0034 0.0506
Loa Loa (eye worm) hypothetical protein 0.0031 0.0012 0.0026
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0031 0.0012 0.0026
Brugia malayi Inositol-1 0.0036 0.002 0.0049
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0031 0.0012 0.0147
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0412 0.064 0.064
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0412 0.064 0.0621
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0031 0.0012 0.0026
Echinococcus granulosus glutamate receptor 2 0.003 0.001 0.0124
Schistosoma mansoni hypothetical protein 0.0175 0.025 0.3885
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0412 0.064 0.064
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0014 0.0014
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0034 0.0506
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0412 0.064 0.064
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0031 0.0012 0.0147
Schistosoma mansoni nAChR subunit 0.0031 0.0012 0.0147
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0031 0.0012 0.0147
Loa Loa (eye worm) hypothetical protein 0.0031 0.0012 0.0026
Loa Loa (eye worm) hypothetical protein 0.0031 0.0012 0.0026
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0034 0.0506
Loa Loa (eye worm) hypothetical protein 0.0031 0.0012 0.0026
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0412 0.064 0.064
Loa Loa (eye worm) hypothetical protein 0.0031 0.0012 0.0026
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0031 0.0012 0.0026
Loa Loa (eye worm) hypothetical protein 0.0031 0.0012 0.0026
Schistosoma mansoni nAChR subunit 0.0031 0.0012 0.0147
Mycobacterium ulcerans short chain dehydrogenase 0.0412 0.064 0.064
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0041 0.0106
Loa Loa (eye worm) hypothetical protein 0.0031 0.0012 0.0026
Loa Loa (eye worm) hypothetical protein 0.1151 0.1861 0.5056
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0101 0.0128 0.1965
Mycobacterium ulcerans short chain dehydrogenase 0.0412 0.064 0.064
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.003 0.001 0.0124
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.002 0.0282
Schistosoma mansoni dihydropteridine reductase 0.0412 0.064 1
Leishmania major pteridine reductase 1 0.0412 0.064 0.1695
Schistosoma mansoni hypothetical protein 0.0175 0.025 0.3885
Loa Loa (eye worm) hypothetical protein 0.2252 0.3679 1
Onchocerca volvulus 0.0101 0.0128 0.1845
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0031 0.0012 0.0026
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0031 0.0012 0.0147
Mycobacterium tuberculosis Possible oxidoreductase 0.0412 0.064 0.064
Trypanosoma brucei pteridine reductase 1 0.0412 0.064 0.1695
Brugia malayi Cation transporter family protein 0.0031 0.0012 0.0026
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0031 0.0012 0.0026
Mycobacterium ulcerans short chain dehydrogenase 0.0412 0.064 0.064
Mycobacterium ulcerans short chain dehydrogenase 0.0412 0.064 0.064
Brugia malayi Cation transporter family protein 0.0031 0.0012 0.0026
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0031 0.0012 0.0147
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0031 0.0012 0.0026
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0034 0.0506
Mycobacterium ulcerans short chain dehydrogenase 0.0412 0.064 0.064
Loa Loa (eye worm) inositol-1 0.0036 0.002 0.0049
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0412 0.064 0.064
Echinococcus multilocularis glycine receptor subunit beta 0.0031 0.0012 0.0147
Mycobacterium ulcerans short chain dehydrogenase 0.0412 0.064 0.064
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0031 0.0012 0.0026
Echinococcus granulosus glycine receptor subunit beta 0.0031 0.0012 0.0147
Onchocerca volvulus 0.0101 0.0128 0.1845
Onchocerca volvulus 0.0412 0.064 1
Loa Loa (eye worm) LGC-31 protein 0.0031 0.0012 0.0026
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0034 0.0088
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0031 0.0012 0.0147
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.003 0.001 0.0124
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0031 0.0012 0.0147
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0031 0.0012 0.0147
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0412 0.064 0.1695
Brugia malayi excitatory GABA receptor EXP-1A 0.0031 0.0012 0.0026
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0412 0.064 0.064
Mycobacterium tuberculosis Probable oxidoreductase 0.0412 0.064 0.064
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0031 0.0012 0.0026
Loa Loa (eye worm) hypothetical protein 0.0101 0.0128 0.0341
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0031 0.0012 0.0026
Schistosoma mansoni nAChR subunit 0.0031 0.0012 0.0147
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0412 0.064 0.064
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0034 0.0088
Echinococcus granulosus nAChR subunit 0.0031 0.0012 0.0147
Mycobacterium ulcerans short chain dehydrogenase 0.0412 0.064 0.064
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0031 0.0012 0.0147
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.003 0.001 0.0124
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0041 0.0106
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.608 1 1
Mycobacterium leprae 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI 0.0412 0.064 0.0627
Echinococcus granulosus glycine receptor subunit alpha 1 0.0031 0.0012 0.0147
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0041 0.0106
Echinococcus granulosus glycine receptor subunit beta 0.0031 0.0012 0.0147
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0412 0.064 0.064
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0412 0.064 0.1736
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0031 0.0012 0.0147
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0412 0.064 0.064
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0031 0.0012 0.0147
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0034 0.0506
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0031 0.0012 0.0147
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0412 0.064 0.064
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0412 0.064 0.064
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.003 0.001 0.0124
Echinococcus granulosus glycine receptor subunit alpha 1 0.0031 0.0012 0.0147
Echinococcus multilocularis glycine receptor subunit beta 0.0031 0.0012 0.0147
Schistosoma mansoni nAChR subunit 0.0031 0.0012 0.0147
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.608 1 1
Echinococcus multilocularis nAChR subunit 0.0031 0.0012 0.0147
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0031 0.0012 0.0147
Mycobacterium ulcerans short chain dehydrogenase 0.0412 0.064 0.064
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0412 0.064 0.1695
Leishmania major oxidoreductase-like protein 0.0412 0.064 0.1695
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.003 0.001 0.0124
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0412 0.064 0.1695
Loa Loa (eye worm) hypothetical protein 0.0033 0.0016 0.0036
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0031 0.0012 0.0026
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0412 0.064 1
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0412 0.064 1
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0024 0 0.5
Schistosoma mansoni nAChR subunit 0.0031 0.0012 0.0147
Mycobacterium ulcerans short chain dehydrogenase 0.0412 0.064 0.064
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0412 0.064 0.0621
Mycobacterium ulcerans short chain dehydrogenase 0.0412 0.064 0.064
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0412 0.064 0.1695
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0031 0.0012 0.0147
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0412 0.064 0.064
Mycobacterium ulcerans 20-beta-hydroxysteroid dehydrogenase FabG3 0.0412 0.064 0.064
Loa Loa (eye worm) hypothetical protein 0.0412 0.064 0.1736
Schistosoma mansoni glutamate receptor NMDA 0.003 0.001 0.0124
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0412 0.064 0.064
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0412 0.064 0.1695
Schistosoma mansoni nAChR subunit 0.0031 0.0012 0.0147
Plasmodium falciparum enoyl-acyl carrier reductase 0.608 1 1
Mycobacterium leprae POSSIBLE OXIDOREDUCTASE 0.0412 0.064 0.0627
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.0412 0.064 0.064
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0412 0.064 1
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0031 0.0012 0.0026
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.002 0.0282
Schistosoma mansoni inositol monophosphatase 0.0036 0.002 0.0282
Mycobacterium tuberculosis Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) 0.0412 0.064 0.064
Loa Loa (eye worm) hypothetical protein 0.0031 0.0012 0.0026
Loa Loa (eye worm) hypothetical protein 0.0031 0.0012 0.0026
Loa Loa (eye worm) hypothetical protein 0.0087 0.0104 0.0277
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0412 0.064 0.1736
Loa Loa (eye worm) hypothetical protein 0.0031 0.0012 0.0026
Loa Loa (eye worm) hypothetical protein 0.0031 0.0012 0.0026
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0016 0.0036
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0031 0.0012 0.0147
Onchocerca volvulus 0.0412 0.064 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0412 0.064 0.1736
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0412 0.064 0.064
Echinococcus granulosus nmda type glutamate receptor 0.0033 0.0015 0.0208
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0034 0.0506
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.002 0.002
Schistosoma mansoni nAChR subunit 0.0031 0.0012 0.0147
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0031 0.0012 0.0026
Plasmodium vivax enoyl-acyl carrier protein reductase 0.608 1 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.003 0.001 0.0124
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0031 0.0012 0.0026
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0412 0.064 0.1695
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.608 1 1
Trichomonas vaginalis hypothetical protein 0.608 1 1
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0412 0.064 0.0621
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0024 0 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0031 0.0012 0.0026
Brugia malayi ERG2 and Sigma1 receptor like protein 0.2252 0.3679 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0034 0.0506
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0031 0.0012 0.0147
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0033 0.0015 0.0208
Loa Loa (eye worm) hypothetical protein 0.0049 0.0041 0.0106
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0412 0.064 0.1695
Loa Loa (eye worm) ACC-1 protein 0.0031 0.0012 0.0026
Echinococcus multilocularis geminin 0.0175 0.025 0.3885
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0412 0.064 0.064
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.608 1 1
Chlamydia trachomatis oxoacy-ACP reductase 0.0412 0.064 0.064
Loa Loa (eye worm) retinol dehydrogenase 12 0.0412 0.064 0.1736
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.608 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0412 0.064 0.064
Mycobacterium ulcerans oxidoreductase 0.0412 0.064 0.064
Brugia malayi Cation transporter family protein 0.0101 0.0128 0.0341
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0031 0.0012 0.0026
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0412 0.064 1
Echinococcus granulosus geminin 0.0175 0.025 0.3885
Trypanosoma brucei oxidoreductase-like protein 0.0412 0.064 0.1695
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0031 0.0012 0.0147
Mycobacterium tuberculosis Possible oxidoreductase 0.0412 0.064 0.064
Mycobacterium ulcerans short chain dehydrogenase 0.0412 0.064 0.064
Loa Loa (eye worm) hypothetical protein 0.0031 0.0012 0.0026
Onchocerca volvulus 0.0101 0.0128 0.1845
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0031 0.0012 0.0147
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0412 0.064 0.064
Mycobacterium ulcerans short chain dehydrogenase 0.0412 0.064 0.064
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0031 0.0012 0.0026
Leishmania major C-8 sterol isomerase-like protein 0.2252 0.3679 1
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0412 0.064 0.0621
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0031 0.0012 0.0147
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0031 0.0012 0.0147
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0031 0.0012 0.0026
Loa Loa (eye worm) hypothetical protein 0.0031 0.0012 0.0026
Loa Loa (eye worm) hypothetical protein 0.0101 0.0128 0.0341
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0412 0.064 0.064
Loa Loa (eye worm) hypothetical protein 0.0031 0.0012 0.0026
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0412 0.064 0.064
Echinococcus multilocularis glutamate receptor 2 0.003 0.001 0.0124
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0031 0.0012 0.0026
Echinococcus granulosus glycine receptor subunit alpha 1 0.0031 0.0012 0.0147
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.003 0.001 0.0124
Loa Loa (eye worm) ACC-1 protein 0.0031 0.0012 0.0026
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0031 0.0012 0.0026
Schistosoma mansoni hypothetical protein 0.0033 0.0016 0.021
Loa Loa (eye worm) hypothetical protein 0.0031 0.0012 0.0026
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0031 0.0012 0.0147
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.003 0.001 0.0124

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) 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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