Detailed information for compound 1343329

Basic information

Technical information
  • TDR Targets ID: 1343329
  • Name: 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]- N-[1-(4-propan-2-ylphenyl)propyl]benzamide
  • MW: 434.531 | Formula: C25H30N4O3
  • H donors: 1 H acceptors: 4 LogP: 5.28 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(c1ccc(cc1)C(C)C)NC(=O)c1cccc(c1)Cn1nc(c(c1C)[N+](=O)[O-])C
  • InChi: 1S/C25H30N4O3/c1-6-23(21-12-10-20(11-13-21)16(2)3)26-25(30)22-9-7-8-19(14-22)15-28-18(5)24(29(31)32)17(4)27-28/h7-14,16,23H,6,15H2,1-5H3,(H,26,30)
  • InChiKey: FKKSZSDDVBQTRV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[1-(4-isopropylphenyl)propyl]benzamide
  • 3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[1-(4-isopropylphenyl)propyl]benzamide
  • 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[1-(4-propan-2-ylphenyl)propyl]benzamide
  • MLS000537116
  • 3-({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}methyl)-N-[1-(4-isopropylphenyl)propyl]benzamide
  • AK-968/41923312
  • SMR000160107
  • STK302451

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 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) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0133 0.2535
Trypanosoma brucei unspecified product 0.0023 0.0133 0.2535
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0357 0.6292 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0133 0.2535
Mycobacterium tuberculosis PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0197 0.0114
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0031 0.0276 0.0232
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0031 0.0276 0.0232
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0031 0.0276 0.0232
Loa Loa (eye worm) hypothetical protein 0.0031 0.0276 0.0232
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0031 0.0276 0.0232
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0031 0.0276 0.0232
Mycobacterium ulcerans acyl-CoA synthetase 0.0031 0.0276 0.0232
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0722 0.0597
Mycobacterium ulcerans acyl-CoA synthetase 0.0031 0.0276 0.0232
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0722 0.0597
Mycobacterium ulcerans acetyl-CoA synthetase 0.0031 0.0276 0.0232
Echinococcus multilocularis neuropeptide receptor A26 0.0558 1 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0526 0.0703
Mycobacterium ulcerans acyl-CoA synthetase 0.0031 0.0276 0.0232
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0722 0.0597
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0722 0.1039
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.044 0.03
Brugia malayi AMP-binding enzyme family protein 0.0031 0.0276 0.0232
Brugia malayi AMP-binding enzyme family protein 0.0031 0.0276 0.0232
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0526 0.5
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0031 0.0276 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0031 0.0276 0.0232
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0031 0.0276 0.0256
Loa Loa (eye worm) hypothetical protein 0.0031 0.0276 0.0232
Mycobacterium ulcerans acyl-CoA synthetase 0.0031 0.0276 0.0232
Mycobacterium ulcerans hypothetical protein 0.0031 0.0276 0.0232
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0031 0.0276 0.0232
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0133 0.2535
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0031 0.0276 0.0253
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0031 0.0276 0.0232
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0526 0.0398
Echinococcus multilocularis long chain fatty acid transport protein 4 0.0331 0.5799 0.5742
Echinococcus granulosus neuropeptide receptor A26 0.0558 1 1
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0357 0.6292 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0031 0.0276 0.0232
Brugia malayi AMP-binding enzyme family protein 0.0031 0.0276 0.0232
Brugia malayi AMP-binding enzyme family protein 0.0031 0.0276 0.0232
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0133 0.2535
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0331 0.5799 1
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0031 0.0276 0.0256
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0722 0.1039
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0031 0.0276 0.0232
Brugia malayi AMP-binding enzyme family protein 0.0357 0.6292 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0526 0.0693
Leishmania major 4-coumarate:coa ligase-like protein 0.0031 0.0276 0.0256
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0031 0.0276 0.0256
Mycobacterium ulcerans acyl-CoA synthetase 0.0031 0.0276 0.0232
Onchocerca volvulus 0.0031 0.0276 0.5
Brugia malayi Inositol-1 0.0045 0.0526 0.0638
Leishmania major acetyl-CoA synthetase, putative 0.0031 0.0276 0.0256
Echinococcus multilocularis neuropeptide s receptor 0.0558 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0031 0.0276 0.0256
Schistosoma mansoni inositol monophosphatase 0.0045 0.0526 0.0693
Schistosoma mansoni inositol monophosphatase 0.0045 0.0526 0.0693
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0031 0.0276 0.0145
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0031 0.0276 0.0256
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0722 0.0597
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0031 0.0276 0.0232
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0031 0.0276 0.0256
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0133 0.2535
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0133 0.2535
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0526 1
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0331 0.5799 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0722 0.0956
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0031 0.0276 0.0256
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0526 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0031 0.0276 0.0256
Brugia malayi AMP-binding enzyme family protein 0.0031 0.0276 0.0232
Giardia lamblia DINP protein human, muc B family 0.0023 0.0133 0.5
Schistosoma mansoni acetyl-CoA synthetase 0.0031 0.0276 0.0253
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0031 0.0276 0.5256
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0133 0.2535
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0326 0.5719 1
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0031 0.0276 0.0256
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.044 0.0549
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0031 0.0276 0.0145
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0133 0.2535
Echinococcus granulosus long chain fatty acid transport protein 4 0.0331 0.5799 0.5742
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0031 0.0276 0.0253
Trichomonas vaginalis antibiotic synthetase, putative 0.0031 0.0276 0.3644
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0133 0.2535
Entamoeba histolytica acyl-CoA synthetase, putative 0.0031 0.0276 0.3644
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0526 1
Onchocerca volvulus 0.0031 0.0276 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0031 0.0276 0.0256
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0526 1
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0031 0.0276 0.0232
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0031 0.0276 0.3644
Mycobacterium ulcerans acyl-CoA synthetase 0.0031 0.0276 0.0232
Onchocerca volvulus 0.0031 0.0276 0.5
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0526 1
Plasmodium vivax acetyl-CoA synthetase, putative 0.0031 0.0276 0.5
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0031 0.0276 0.0256
Leishmania major fatty acid transporter protein-like protein 0.0326 0.5719 1
Loa Loa (eye worm) inositol-1 0.0045 0.0526 0.0638
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0031 0.0276 0.0256
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0133 0.2535
Mycobacterium ulcerans acyl-CoA synthetase 0.0031 0.0276 0.0232
Leishmania major acetyl-CoA synthetase, putative 0.0031 0.0276 0.0256
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0031 0.0276 0.5256
Mycobacterium leprae possible long-chain acyl-CoA synthase 0.0326 0.5719 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0276 0.0232
Loa Loa (eye worm) hypothetical protein 0.0031 0.0276 0.0232
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0031 0.0276 0.0232
Entamoeba histolytica acyl-CoA synthetase, putative 0.0031 0.0276 0.3644
Onchocerca volvulus 0.0031 0.0276 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0133 0.2535
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0722 0.0956
Entamoeba histolytica acyl-coA synthetase, putative 0.0031 0.0276 0.3644
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0526 0.0693
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0031 0.0276 0.0253
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0526 0.0398
Mycobacterium ulcerans acyl-CoA synthetase 0.0031 0.0276 0.0232
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0133 0.2535
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0133 0.2535
Mycobacterium ulcerans acyl-CoA synthetase 0.0031 0.0276 0.0232
Brugia malayi AMP-binding enzyme family protein 0.0031 0.0276 0.0232
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0031 0.0276 0.0232
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0526 0.0638
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0031 0.0276 0.0253
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0031 0.0276 0.0232
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0031 0.0276 0.0256
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0722 0.1039
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0031 0.0276 0.0256
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0031 0.0276 0.0256
Schistosoma mansoni FFA transport protein 0.0331 0.5799 1
Loa Loa (eye worm) oxidoreductase 0.0031 0.0276 0.0232
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0526 1
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0031 0.0276 0.0256
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0133 0.2535
Trichomonas vaginalis antibiotic synthetase, putative 0.0031 0.0276 0.3644
Onchocerca volvulus 0.0031 0.0276 0.5
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0031 0.0276 0.0232
Loa Loa (eye worm) hypothetical protein 0.0031 0.0276 0.0232

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 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

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.

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