Detailed information for compound 1616723

Basic information

Technical information
  • TDR Targets ID: 1616723
  • Name: 3-[(4-methoxycarbonylcubane-1-carbonyl)amino] -3-methylbutanoic acid
  • MW: 305.326 | Formula: C16H19NO5
  • H donors: 2 H acceptors: 4 LogP: -0.46 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C12C3C4C2C2C1C3C42C(=O)NC(CC(=O)O)(C)C
  • InChi: 1S/C16H19NO5/c1-14(2,4-5(18)19)17-12(20)15-6-9-7(15)11-8(15)10(6)16(9,11)13(21)22-3/h6-11H,4H2,1-3H3,(H,17,20)(H,18,19)
  • InChiKey: WWKVEJNGAUHLSZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[(4-methoxycarbonylcubane-1-carbonyl)amino]-3-methyl-butanoic acid
  • 3-[[(4-methoxycarbonyl-1-cubanyl)-oxomethyl]amino]-3-methylbutanoic acid
  • 3-[(4-carbomethoxycubane-1-carbonyl)amino]-3-methyl-butyric acid
  • 3-[(4-methoxycarbonylcuban-1-yl)carbonylamino]-3-methyl-butanoic acid
  • NSC679809
  • NCI60_028544
  • 3-(((4-(Methoxycarbonyl)pentacyclo[4.2.0.0~2,5~.0~3,8~.0~4,7~]oct-1-yl)carbonyl)amino)-3-methylbutanoic acid
  • AIDS-148238
  • AIDS148238

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 0.0231 0.2753 0.4775
Schistosoma mansoni hypothetical protein 0.0063 0.0176 0.0078
Schistosoma mansoni nuclear hormone receptor 0.0109 0.0882 0.0791
Loa Loa (eye worm) hypothetical protein 0.0109 0.0882 0.1408
Schistosoma mansoni coup transcription factor 0.0231 0.2753 0.268
Loa Loa (eye worm) jmjC domain-containing protein 0.007 0.0286 0.0336
Loa Loa (eye worm) hypothetical protein 0.0231 0.2753 0.4775
Brugia malayi Nuclear hormone receptor E75 0.0109 0.0882 0.1408
Brugia malayi nuclear receptor RXR 0.0109 0.0882 0.1408
Giardia lamblia PHD finger protein 15 0.0058 0.0099 0.5
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0109 0.0882 0.0791
Loa Loa (eye worm) hypothetical protein 0.0109 0.0882 0.1408
Echinococcus multilocularis GPCR, family 2 0.0063 0.0176 0.0176
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0231 0.2753 0.4116
Onchocerca volvulus 0.0109 0.0882 0.1214
Loa Loa (eye worm) hypothetical protein 0.0109 0.0882 0.1408
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0109 0.0882 0.1408
Loa Loa (eye worm) hypothetical protein 0.0231 0.2753 0.4775
Echinococcus granulosus ecdysone induced protein 78C 0.0231 0.2753 0.2753
Onchocerca volvulus 0.006 0.0136 0.0057
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0109 0.0882 0.0882
Onchocerca volvulus 0.0479 0.6548 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.0882 0.1408
Schistosoma mansoni jumonji/arid domain-containing protein 0.007 0.0286 0.0189
Brugia malayi nuclear receptor RXR 0.0122 0.1082 0.1769
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0231 0.2753 0.4775
Echinococcus granulosus GPCR family 2 0.0063 0.0176 0.0176
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0122 0.1082 0.1769
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0231 0.2753 0.4775
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.0414 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0231 0.2753 0.4775
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0109 0.0882 0.1408
Loa Loa (eye worm) hypothetical protein 0.0063 0.0176 0.0139
Brugia malayi Nuclear hormone receptor E75 0.0109 0.0882 0.1408
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.0414 0.5
Loa Loa (eye worm) nuclear hormone receptor 0.0109 0.0882 0.1408
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0109 0.0882 0.0882
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0231 0.2753 0.2753
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.006 0.0136 0.0136
Onchocerca volvulus Bile acid receptor homolog 0.0231 0.2753 0.4116
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0231 0.2753 0.4775
Onchocerca volvulus 0.0109 0.0882 0.1214
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0109 0.0882 0.0791
Brugia malayi orphan nuclear receptor NR2E1 0.0109 0.0882 0.1408
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.019 0.2119 0.2119
Loa Loa (eye worm) hypothetical protein 0.0109 0.0882 0.1408
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0063 0.0176 0.0176
Loa Loa (eye worm) hypothetical protein 0.0099 0.0734 0.1141
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0231 0.2753 0.2753
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0231 0.2753 0.2753
Schistosoma mansoni retinoic acid receptor RXR 0.0231 0.2753 0.268
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0231 0.2753 0.2753
Echinococcus multilocularis ecdysone induced protein 78C 0.0231 0.2753 0.2753
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0231 0.2753 0.4775
Loa Loa (eye worm) hypothetical protein 0.006 0.0136 0.0066
Echinococcus multilocularis nuclear receptor nhr 48 0.0109 0.0882 0.0882
Loa Loa (eye worm) steroid hormone receptor 0.0231 0.2753 0.4775
Loa Loa (eye worm) hypothetical protein 0.0109 0.0882 0.1408
Echinococcus granulosus Nuclear hormone receptor HR96 0.0109 0.0882 0.0882
Loa Loa (eye worm) nuclear receptor NHR-67 0.0109 0.0882 0.1408
Loa Loa (eye worm) hypothetical protein 0.0109 0.0882 0.1408
Loa Loa (eye worm) hypothetical protein 0.0109 0.0882 0.1408
Brugia malayi nuclear hormone receptor 0.0231 0.2753 0.4775
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.019 0.2119 0.2119
Brugia malayi jmjC domain containing protein 0.019 0.2119 0.3635
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0231 0.2753 0.4775
Schistosoma mansoni jumonji/arid domain-containing protein 0.007 0.0286 0.0189
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.0414 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0079 0.0414 0.5
Brugia malayi Probable ClpP-like protease 0.0079 0.0414 0.0567
Schistosoma mansoni steroid hormone receptor ad4bp 0.0231 0.2753 0.268
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0063 0.0176 0.0139
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0231 0.2753 0.2753
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0079 0.0414 0.0414
Brugia malayi Nuclear hormone receptor-like 1 0.0231 0.2753 0.4775
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0079 0.0414 0.0414
Brugia malayi ecdysone receptor 0.0109 0.0882 0.1408
Schistosoma mansoni nuclear receptor nhr-48 0.0109 0.0882 0.0791
Brugia malayi Pre-SET motif family protein 0.0421 0.5657 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.0414 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0231 0.2753 0.4775
Echinococcus multilocularis FTZ F1 alpha 0.0231 0.2753 0.2753
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0122 0.1082 0.0993
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0109 0.0882 0.0882
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0231 0.2753 0.4775
Schistosoma mansoni hypothetical protein 0.0063 0.0176 0.0078
Echinococcus granulosus jumonji domain containing protein 0.0081 0.0447 0.0447
Loa Loa (eye worm) hypothetical protein 0.0109 0.0882 0.1408
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0231 0.2753 0.268
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0231 0.2753 0.2753
Brugia malayi nuclear hormone receptor family member nhr-6 0.0109 0.0882 0.1408
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0231 0.2753 0.4775
Schistosoma mansoni hypothetical protein 0.0063 0.0176 0.0078
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0231 0.2753 0.268
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0063 0.0176 0.0176
Schistosoma mansoni nuclear receptor 0.0109 0.0882 0.0791
Brugia malayi latrophilin 2 splice variant baaae 0.0136 0.1296 0.2153
Loa Loa (eye worm) hypothetical protein 0.0231 0.2753 0.4775
Onchocerca volvulus Protein ultraspiracle homolog 0.0231 0.2753 0.4116
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.006 0.0136 0.1163
Brugia malayi photoreceptor-specific nuclear receptor 0.0231 0.2753 0.4775
Echinococcus granulosus peregrin 0.0058 0.0099 0.0099
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0231 0.2753 0.4775
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0231 0.2753 0.268
Brugia malayi nuclear hormone receptor family member odr-7 0.0109 0.0882 0.1408
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0063 0.0176 0.0176
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0079 0.0414 1
Brugia malayi Nuclear hormone receptor-like 1 0.0122 0.1082 0.1769
Loa Loa (eye worm) DR-78 0.0109 0.0882 0.1408
Loa Loa (eye worm) hypothetical protein 0.0122 0.1082 0.1769
Loa Loa (eye worm) hypothetical protein 0.0231 0.2753 0.4775
Schistosoma mansoni hypothetical protein 0.0063 0.0176 0.0078
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0109 0.0882 0.0882
Echinococcus multilocularis jumonji domain containing protein 0.0081 0.0447 0.0447
Loa Loa (eye worm) latrophilin receptor protein 2 0.0063 0.0176 0.0139
Brugia malayi nuclear hormone receptor 0.0109 0.0882 0.1408
Brugia malayi tailless protein 0.0109 0.0882 0.1408
Brugia malayi hypothetical protein 0.0122 0.1082 0.1769
Brugia malayi Calcitonin receptor-like protein seb-1 0.0199 0.2261 0.389
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.0414 0.5
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0109 0.0882 0.0882
Loa Loa (eye worm) hypothetical protein 0.0109 0.0882 0.1408
Echinococcus multilocularis PHD finger protein rhinoceros 0.0058 0.0099 0.0099
Onchocerca volvulus 0.0231 0.2753 0.4116
Schistosoma mansoni peptidase Clp (S14 family) 0.0079 0.0414 0.0318
Loa Loa (eye worm) hypothetical protein 0.0122 0.1082 0.1769
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0079 0.0414 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.0882 0.1408
Loa Loa (eye worm) hypothetical protein 0.0122 0.1082 0.1769
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0231 0.2753 0.4775
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0109 0.0882 0.1214
Schistosoma mansoni nuclear hormone receptor 0.0109 0.0882 0.0791
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0231 0.2753 0.2753
Loa Loa (eye worm) hypothetical protein 0.0199 0.2261 0.389
Echinococcus multilocularis thyroid hormone receptor alpha 0.0231 0.2753 0.2753
Plasmodium vivax SET domain protein, putative 0.006 0.0136 0.1163
Loa Loa (eye worm) hypothetical protein 0.0079 0.0414 0.0567
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0231 0.2753 0.2753
Brugia malayi nuclear receptor NHR-88 0.0109 0.0882 0.1408
Schistosoma mansoni hypothetical protein 0.0136 0.1296 0.1209
Loa Loa (eye worm) jmjC domain-containing protein 0.012 0.1045 0.1701
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0122 0.1082 0.0993
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0231 0.2753 0.4775
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0231 0.2753 0.4775
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0199 0.2261 0.389
Loa Loa (eye worm) hypothetical protein 0.0136 0.1296 0.2153
Loa Loa (eye worm) hypothetical protein 0.0122 0.1082 0.1769
Echinococcus granulosus FTZ F1 alpha 0.0231 0.2753 0.2753
Brugia malayi ecdysteroid receptor 0.0231 0.2753 0.4775
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0231 0.2753 0.2753
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0421 0.5657 1
Echinococcus multilocularis peregrin 0.0058 0.0099 0.0099
Loa Loa (eye worm) hypothetical protein 0.0231 0.2753 0.4775
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0122 0.1082 0.1082
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0136 0.0037
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0231 0.2753 0.4775
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0231 0.2753 0.268
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0122 0.1082 0.1082
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0231 0.2753 0.2753
Loa Loa (eye worm) hypothetical protein 0.0109 0.0882 0.1408
Echinococcus granulosus nuclear receptor nhr 48 0.0109 0.0882 0.0882
Echinococcus granulosus thyroid hormone receptor alpha 0.0109 0.0882 0.0882
Brugia malayi Latrophilin receptor protein 2 0.0063 0.0176 0.0139
Brugia malayi hypothetical protein 0.0109 0.0882 0.1408
Brugia malayi jmjC domain containing protein 0.007 0.0286 0.0336
Schistosoma mansoni thyroid hormone receptor 0.0231 0.2753 0.268
Loa Loa (eye worm) hypothetical protein 0.0231 0.2753 0.4775
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0079 0.0414 1
Loa Loa (eye worm) hypothetical protein 0.0231 0.2753 0.4775
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0109 0.0882 0.1214
Echinococcus granulosus PHD finger protein rhinoceros 0.0058 0.0099 0.0099
Echinococcus granulosus histone lysine methyltransferase setb 0.006 0.0136 0.0136
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0231 0.2753 0.4775
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0109 0.0882 0.0882
Schistosoma mansoni zinc finger protein 0.0109 0.0882 0.0791
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0231 0.2753 0.4775
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.006 0.0136 0.0037
Brugia malayi nuclear receptor NHR-67 0.0109 0.0882 0.1408
Schistosoma mansoni jumonji domain containing protein 0.0151 0.1522 0.1437
Loa Loa (eye worm) hypothetical protein 0.0109 0.0882 0.1408
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0231 0.2753 0.4775
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0109 0.0882 0.0882
Echinococcus multilocularis lysine specific demethylase 5A 0.007 0.0286 0.0286
Schistosoma mansoni thyroid hormone receptor 0.0231 0.2753 0.268
Brugia malayi steroid hormone receptor 0.0231 0.2753 0.4775
Brugia malayi nuclear receptor NHR-88 0.0231 0.2753 0.4775
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0231 0.2753 0.268
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0058 0.0102 0.0102
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0231 0.2753 0.2753
Schistosoma mansoni RAR-like nuclear receptor 0.0231 0.2753 0.268
Schistosoma mansoni nuclear hormone receptor 0.0231 0.2753 0.268
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0231 0.2753 0.2753
Echinococcus granulosus Nuclear hormone receptor HR96 0.0109 0.0882 0.0882
Brugia malayi hypothetical protein 0.0122 0.1082 0.1769
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0231 0.2753 0.4775
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0136 0.0037
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.0414 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0231 0.2753 0.4775
Trichomonas vaginalis set domain proteins, putative 0.0479 0.6548 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0136 0.0037
Loa Loa (eye worm) hypothetical protein 0.0122 0.1082 0.1769
Echinococcus granulosus lysine specific demethylase 5A 0.007 0.0286 0.0286
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0231 0.2753 0.268
Brugia malayi hypothetical protein 0.0109 0.0882 0.1408
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0231 0.2753 0.2753
Brugia malayi conserved hypotetical protein 0.0109 0.0882 0.1408
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0231 0.2753 0.4775
Schistosoma mansoni nuclear receptor 0.0109 0.0882 0.0791
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.006 0.0136 0.0136
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0063 0.0176 0.0176
Brugia malayi Nuclear hormone receptor-like 1 0.0122 0.1082 0.1769
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0199 0.2261 0.389
Brugia malayi Pre-SET motif family protein 0.006 0.0136 0.0066
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0079 0.0414 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0231 0.2753 0.4775

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 MDA-N Breast 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 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 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 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 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 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 DU-145 Prostate 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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