Detailed information for compound 317896

Basic information

Technical information
  • TDR Targets ID: 317896
  • Name: N-(cyclopropylmethyl)-6-ethyl-N-propyl-1-(2,4 ,6-trimethylphenyl)-2,3-dihydroimidazo[1,2-a] imidazole-5-carboxamide
  • MW: 394.553 | Formula: C24H34N4O
  • H donors: 0 H acceptors: 2 LogP: 5.09 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN(C(=O)c1c(CC)nc2n1CCN2c1c(C)cc(cc1C)C)CC1CC1
  • InChi: 1S/C24H34N4O/c1-6-10-26(15-19-8-9-19)23(29)22-20(7-2)25-24-27(11-12-28(22)24)21-17(4)13-16(3)14-18(21)5/h13-14,19H,6-12,15H2,1-5H3
  • InChiKey: CFYYVKBYVMQKFG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(cyclopropylmethyl)-6-ethyl-1-mesityl-N-propyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide
  • N-(cyclopropylmethyl)-6-ethyl-N-propyl-1-(2,4,6-trimethylphenyl)-2,3-dihydroimidazo[2,3-b]imidazole-5-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens corticotropin releasing hormone receptor 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative Get druggable targets OG5_130760 All targets in OG5_130760
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130760 All targets in OG5_130760
Schistosoma japonicum IPR001879,Hormone receptor, extracellular,domain-containing Get druggable targets OG5_130760 All targets in OG5_130760
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c corticotropin releasing hormone receptor 1 444 aa 445 aa 25.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni cathepsin F (C01 family) 0.0006 0.001 0.001
Schistosoma mansoni hypothetical protein 0.0019 0.0133 0.0133
Echinococcus granulosus pyruvate kinase 0.0008 0.0027 0.0017
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0111 0.103 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.1028 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.1028 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0007 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0543 0.5258 0.5253
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0111 0.103 0.2738
Brugia malayi nuclear hormone receptor family member odr-7 0.0485 0.4689 0.4684
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0007 0.0013 0.0013
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0485 0.4689 0.4684
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0034 0.0283 0.0273
Loa Loa (eye worm) hypothetical protein 0.0485 0.4689 0.4684
Echinococcus multilocularis ecdysone induced protein 78C 0.1028 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.1028 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0133 0.0123
Chlamydia trachomatis pyruvate kinase 0.0016 0.0103 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0133 0.0133
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0007 0.0013 0.0013
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0007 0.0013 0.0003
Loa Loa (eye worm) hypothetical protein 0.0016 0.0103 0.0093
Toxoplasma gondii pyruvate kinase PyK1 0.0016 0.0103 0.0906
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.1028 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.1028 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.1028 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.1028 1 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0485 0.4689 0.4689
Loa Loa (eye worm) hypothetical protein 0.0543 0.5258 0.5253
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0543 0.5258 0.5253
Trypanosoma brucei pyruvate kinase 1 0.0016 0.0103 0.0266
Plasmodium vivax pyruvate kinase 2, putative 0.0008 0.0027 0.1814
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0111 0.103 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0111 0.103 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.1028 1 1
Brugia malayi hypothetical protein 0.0543 0.5258 0.5253
Brugia malayi hypothetical protein 0.0485 0.4689 0.4684
Schistosoma mansoni hypothetical protein 0.0019 0.0133 0.0133
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0111 0.103 0.2738
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0111 0.103 0.2738
Loa Loa (eye worm) nuclear receptor NHR-67 0.0485 0.4689 0.4684
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.1028 1 1
Schistosoma mansoni voltage-gated potassium channel 0.001 0.0044 0.0044
Trypanosoma brucei cytochrome P450, putative 0.0362 0.3492 1
Loa Loa (eye worm) hypothetical protein 0.0543 0.5258 0.5253
Echinococcus granulosus pyruvate kinase 0.0016 0.0103 0.0093
Schistosoma mansoni cytochrome P450 0.0111 0.103 0.103
Onchocerca volvulus 0.1028 1 1
Echinococcus multilocularis pyruvate kinase 0.0008 0.0027 0.0017
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.1028 1 1
Loa Loa (eye worm) hypothetical protein 0.0485 0.4689 0.4684
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0007 0.0013 0.0135
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0111 0.103 0.2738
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0111 0.103 1
Trypanosoma cruzi cytochrome P450, putative 0.0362 0.3492 1
Echinococcus granulosus FTZ F1 alpha 0.1028 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0006 0.001 0.001
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0536 0.0526
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0111 0.103 0.2738
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.1028 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0032 0.0261 1
Brugia malayi Nuclear hormone receptor-like 1 0.1028 1 1
Trichomonas vaginalis pyruvate kinase, putative 0.0016 0.0103 0.369
Loa Loa (eye worm) cytochrome P450 family protein 0.0362 0.3492 0.3485
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0007 0.0013 0.0003
Mycobacterium leprae putative cytochrome p450 0.0111 0.103 1
Brugia malayi tailless protein 0.0485 0.4689 0.4684
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0007 0.0013 0.0003
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0111 0.103 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0485 0.4689 0.4684
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0111 0.103 0.2738
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0111 0.103 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0034 0.0283 0.0273
Echinococcus multilocularis voltage gated potassium channel 0.001 0.0044 0.0034
Plasmodium falciparum pyruvate kinase 2 0.0008 0.0027 0.1814
Schistosoma mansoni nuclear hormone receptor 0.1028 1 1
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0007 0.0013 0.0003
Echinococcus granulosus nuclear receptor 2DBD gamma 0.1028 1 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0007 0.0013 0.0013
Brugia malayi Nuclear hormone receptor E75 0.0485 0.4689 0.4684
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0032 0.0261 1
Brugia malayi nuclear receptor NHR-88 0.1028 1 1
Echinococcus multilocularis pyruvate kinase 0.0013 0.007 0.006
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0133 0.0123
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0485 0.4689 0.4684
Brugia malayi Pyruvate kinase, M2 isozyme 0.0016 0.0103 0.0093
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0007 0.0013 0.0013
Brugia malayi Nuclear hormone receptor family member nhr-19 0.1028 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0007 0.0013 0.0135
Schistosoma mansoni pyruvate kinase 0.0016 0.0103 0.0103
Loa Loa (eye worm) hypothetical protein 0.0041 0.035 0.034
Brugia malayi Nuclear hormone receptor family member nhr-49 0.1028 1 1
Onchocerca volvulus 0.0485 0.4689 0.4684
Onchocerca volvulus Pyruvate kinase homolog 0.0016 0.0103 0.0093
Trypanosoma cruzi cytochrome P450, putative 0.0362 0.3492 1
Loa Loa (eye worm) DR-78 0.0485 0.4689 0.4684
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0111 0.103 0.2738
Onchocerca volvulus Protein ultraspiracle homolog 0.1028 1 1
Loa Loa (eye worm) hypothetical protein 0.0485 0.4689 0.4684
Trypanosoma cruzi pyruvate kinase 2, putative 0.0016 0.0103 0.0266
Schistosoma mansoni voltage-gated potassium channel 0.001 0.0044 0.0044
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0111 0.103 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0485 0.4689 0.4684
Toxoplasma gondii pyruvate kinase PyKII 0.0008 0.0027 0.0164
Trypanosoma cruzi pyruvate kinase 2, putative 0.0016 0.0103 0.0266
Loa Loa (eye worm) hypothetical protein 0.0245 0.2348 0.234
Brugia malayi photoreceptor-specific nuclear receptor 0.1028 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0543 0.5258 0.5253
Schistosoma mansoni coup transcription factor 0.1028 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0037 0.0314 0.0314
Brugia malayi nuclear receptor NHR-67 0.0485 0.4689 0.4684
Loa Loa (eye worm) hypothetical protein 0.0007 0.0013 0.0003
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0133 0.0123
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.001 0.0044 0.0034
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.1028 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.1028 1 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0034 0.0283 0.0273
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0111 0.103 0.2931
Loa Loa (eye worm) hypothetical protein 0.0485 0.4689 0.4684
Echinococcus multilocularis pyruvate kinase 0.0008 0.0027 0.0017
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0111 0.103 0.2738
Schistosoma mansoni retinoic acid receptor RXR 0.1028 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0543 0.5258 0.5258
Brugia malayi Steroid receptor seven-up type 2 0.1028 1 1
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0007 0.0013 0.0003
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0111 0.103 1
Brugia malayi hypothetical protein 0.0543 0.5258 0.5253
Brugia malayi Nuclear hormone receptor family member nhr-40 0.1028 1 1
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0111 0.103 1
Loa Loa (eye worm) hypothetical protein 0.0252 0.2408 0.2401
Brugia malayi Nuclear hormone receptor-like 1 0.0543 0.5258 0.5253
Loa Loa (eye worm) hypothetical protein 0.0485 0.4689 0.4684
Brugia malayi Nuclear hormone receptor family member nhr-41 0.1028 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.1028 1 1
Loa Loa (eye worm) hypothetical protein 0.0485 0.4689 0.4684
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0133 0.0123
Schistosoma mansoni thyroid hormone receptor 0.1028 1 1
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0111 0.103 0.2931
Brugia malayi Nuclear hormone receptor family member nhr-14 0.1028 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.1028 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0543 0.5258 0.5253
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0111 0.103 0.2931
Loa Loa (eye worm) hypothetical protein 0.001 0.0044 0.0034
Giardia lamblia Pyruvate kinase 0.0016 0.0103 1
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0007 0.0013 0.0003
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.1028 1 1
Loa Loa (eye worm) pyruvate kinase-PB 0.0011 0.0056 0.0045
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0111 0.103 0.2738
Echinococcus granulosus GPCR family 2 0.0019 0.0133 0.0123
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0111 0.103 0.2738
Brugia malayi hypothetical protein 0.0485 0.4689 0.4684
Echinococcus granulosus ecdysone induced protein 78C 0.1028 1 1
Echinococcus granulosus hyperpolarization activated cyclic 0.0007 0.0013 0.0003
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0485 0.4689 0.4684
Schistosoma mansoni nuclear hormone receptor 0.0485 0.4689 0.4689
Schistosoma mansoni pyruvate kinase 0.0008 0.0027 0.0027
Schistosoma mansoni retinoid-x-receptor (RXR) 0.1028 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.016 0.1512 0.1503
Echinococcus granulosus pyruvate kinase 0.0008 0.0027 0.0017
Brugia malayi Pyruvate kinase, muscle isozyme 0.0016 0.0103 0.0093
Echinococcus multilocularis pyruvate kinase 0.0016 0.0103 0.0093
Trypanosoma brucei pyruvate kinase 1, putative 0.0016 0.0103 0.0266
Onchocerca volvulus Pyruvate kinase homolog 0.0016 0.0103 0.0093
Brugia malayi nuclear receptor NHR-88 0.0485 0.4689 0.4684
Schistosoma mansoni hypothetical protein 0.0111 0.103 0.103
Schistosoma mansoni pyruvate kinase 0.0016 0.0103 0.0103
Loa Loa (eye worm) hypothetical protein 0.1028 1 1
Echinococcus granulosus pyruvate kinase 0.0008 0.0027 0.0017
Echinococcus multilocularis 0.0111 0.103 0.1021
Leishmania major pyruvate kinase 0.0016 0.0103 0.0266
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0204 0.1945 0.1937
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.1028 1 1
Onchocerca volvulus 0.0485 0.4689 0.4684
Schistosoma mansoni hypothetical protein 0.0019 0.0133 0.0133
Brugia malayi Cyclic-nucleotide gated cation channel 0.0007 0.0013 0.0003
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0245 0.2348 0.234
Loa Loa (eye worm) pyruvate kinase 0.0016 0.0103 0.0093
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0111 0.103 1
Onchocerca volvulus Bile acid receptor homolog 0.1028 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0056 0.0045
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0133 0.0123
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0007 0.0013 0.0013
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0543 0.5258 0.5258
Echinococcus multilocularis GPCR, family 2 0.0019 0.0133 0.0123
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0111 0.103 0.2738
Loa Loa (eye worm) hypothetical protein 0.0485 0.4689 0.4684
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0111 0.103 0.2738
Brugia malayi Cytochrome P450 family protein 0.0111 0.103 0.1021
Loa Loa (eye worm) hypothetical protein 0.1028 1 1
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0111 0.103 0.2931
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0111 0.103 0.2738
Brugia malayi nuclear hormone receptor 0.1028 1 1
Loa Loa (eye worm) hypothetical protein 0.1028 1 1
Loa Loa (eye worm) hypothetical protein 0.1028 1 1
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0007 0.0013 0.0003
Schistosoma mansoni hypothetical protein 0.0041 0.035 0.035
Toxoplasma gondii cytochrome p450 superfamily protein 0.0111 0.103 1
Plasmodium vivax pyruvate kinase, putative 0.0016 0.0103 1
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0111 0.103 0.2738
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0111 0.103 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0485 0.4689 0.4684
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0485 0.4689 0.4684
Echinococcus granulosus nuclear receptor nhr 48 0.0485 0.4689 0.4684
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0485 0.4689 0.4684
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0133 0.0123
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0111 0.103 0.2738
Echinococcus multilocularis FTZ F1 alpha 0.1028 1 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0362 0.3492 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.001 0.0044 0.0034
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0007 0.0013 0.0003
Echinococcus granulosus Nuclear hormone receptor HR96 0.0485 0.4689 0.4684
Brugia malayi Cytochrome P450 family protein 0.0362 0.3492 0.3485
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0111 0.103 0.2738
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0034 0.0283 0.0273
Echinococcus granulosus cytochrome P450 2K1 0.0111 0.103 0.1021
Schistosoma mansoni nuclear receptor 0.0485 0.4689 0.4689
Loa Loa (eye worm) cytochrome P450 0.0111 0.103 0.1021
Loa Loa (eye worm) pyruvate kinase 0.0016 0.0103 0.0093
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.1028 1 1
Loa Loa (eye worm) hypothetical protein 0.0485 0.4689 0.4684
Loa Loa (eye worm) hypothetical protein 0.0485 0.4689 0.4684
Loa Loa (eye worm) steroid hormone receptor 0.1028 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.1028 1 1
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0111 0.103 0.2738
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.1028 1 1
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0111 0.103 1
Mycobacterium leprae Conserved hypothetical protein 0.0111 0.103 1
Leishmania major cytochrome p450-like protein 0.0111 0.103 0.2931
Brugia malayi Cytochrome P450 family protein 0.0362 0.3492 0.3485
Loa Loa (eye worm) hypothetical protein 0.0485 0.4689 0.4684
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.1028 1 1
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0007 0.0013 0.0003
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.1028 1 1
Brugia malayi Nuclear hormone receptor E75 0.0485 0.4689 0.4684
Onchocerca volvulus Pyruvate kinase homolog 0.0016 0.0103 0.0093
Brugia malayi Nuclear hormone receptor family member nhr-25 0.1028 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.1028 1 1
Loa Loa (eye worm) hypothetical protein 0.0485 0.4689 0.4684
Schistosoma mansoni zinc finger protein 0.0485 0.4689 0.4689
Leishmania major cytochrome p450-like protein 0.0111 0.103 0.2931
Echinococcus granulosus thyroid hormone receptor alpha 0.0485 0.4689 0.4684
Brugia malayi steroid hormone receptor 0.1028 1 1
Brugia malayi nuclear hormone receptor 0.0485 0.4689 0.4684
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0111 0.103 0.2738
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0485 0.4689 0.4684
Entamoeba histolytica pyruvate kinase, putative 0.0011 0.0056 1
Echinococcus granulosus pyruvate kinase 0.0016 0.0103 0.0093
Loa Loa (eye worm) pyruvate kinase 0.0016 0.0103 0.0093
Echinococcus granulosus voltage gated potassium channel 0.001 0.0044 0.0034
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0111 0.103 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0485 0.4689 0.4689
Echinococcus multilocularis pyruvate kinase 0.0008 0.0027 0.0017
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.1028 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.1028 1 1
Schistosoma mansoni nuclear receptor 0.0485 0.4689 0.4689
Loa Loa (eye worm) hypothetical protein 0.0485 0.4689 0.4684
Loa Loa (eye worm) hypothetical protein 0.1028 1 1
Loa Loa (eye worm) hypothetical protein 0.0543 0.5258 0.5253
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.1028 1 1
Brugia malayi conserved hypotetical protein 0.0485 0.4689 0.4684
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0111 0.103 0.2738
Loa Loa (eye worm) hypothetical protein 0.1028 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.001 0.0044 0.0034
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0111 0.103 1
Loa Loa (eye worm) hypothetical protein 0.1028 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0362 0.3492 0.3485
Brugia malayi Nuclear hormone receptor family member nhr-3 0.1028 1 1
Echinococcus granulosus hyperpolarization activated cyclic 0.0007 0.0013 0.0003
Schistosoma mansoni nuclear hormone receptor 0.0485 0.4689 0.4689
Brugia malayi Nuclear hormone receptor family member nhr-1 0.1028 1 1
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0111 0.103 1
Leishmania major cytochrome p450-like protein 0.0362 0.3492 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.1028 1 1
Brugia malayi nuclear receptor RXR 0.0485 0.4689 0.4684
Echinococcus multilocularis hyperpolarization activated cyclic 0.0007 0.0013 0.0003
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.1028 1 1
Echinococcus multilocularis hyperpolarization activated cyclic 0.0007 0.0013 0.0003
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0111 0.103 1
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0111 0.103 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0238 0.0229
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0204 0.1945 0.1937
Loa Loa (eye worm) hypothetical protein 0.1028 1 1
Brugia malayi Cytochrome P450 family protein 0.016 0.1512 0.1503
Loa Loa (eye worm) hypothetical protein 0.0543 0.5258 0.5253
Leishmania major pyruvate kinase 0.0016 0.0103 0.0266
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.1028 1 1
Echinococcus multilocularis pyruvate kinase 0.0016 0.0103 0.0093
Schistosoma mansoni steroid hormone receptor ad4bp 0.1028 1 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0485 0.4689 0.4684
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.1028 1 1
Schistosoma mansoni thyroid hormone receptor 0.1028 1 1
Brugia malayi cytochrome P450 0.0111 0.103 0.1021
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0543 0.5258 0.5253
Brugia malayi ecdysone receptor 0.0485 0.4689 0.4684
Loa Loa (eye worm) hypothetical protein 0.0485 0.4689 0.4684
Loa Loa (eye worm) CYP4Cod1 0.0362 0.3492 0.3485
Plasmodium falciparum pyruvate kinase 0.0016 0.0103 1
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0111 0.103 0.2738
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0111 0.103 1
Schistosoma mansoni nuclear receptor nhr-48 0.0485 0.4689 0.4689
Brugia malayi nuclear receptor RXR 0.0543 0.5258 0.5253
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0485 0.4689 0.4684
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.1028 1 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0485 0.4689 0.4684
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0536 0.0526
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0111 0.103 1
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0111 0.103 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.1028 1 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0111 0.103 0.2931
Trichomonas vaginalis pyruvate kinase, putative 0.0016 0.0103 0.369
Brugia malayi orphan nuclear receptor NR2E1 0.0485 0.4689 0.4684
Echinococcus granulosus Nuclear hormone receptor HR96 0.0485 0.4689 0.4684
Loa Loa (eye worm) nuclear hormone receptor 0.0485 0.4689 0.4684
Echinococcus multilocularis nuclear receptor nhr 48 0.0485 0.4689 0.4684
Schistosoma mansoni voltage-gated potassium channel 0.0037 0.0314 0.0314
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.035 0.034

Activities

Activity type Activity value Assay description Source Reference
AUC (ADMET) = 1524 ng h/mL Area under curve (0-24 hr) upon oral administration of 10 mg/kg of dose in a dosing vehicle of 10/10/80 cremaphor/DMSO/water ChEMBL. 15990298
B/P (ADMET) = 0.21 Brain to plasma (2 hours) concentration ratio upon intravenous administration of 2 mg/kg of dose in a dosing vehicle of 10/10/80 cremaphor/DMSO/water ChEMBL. 15990298
CL (ADMET) = 35 ml min-1 kg-1 Clearance upon intravenous administration of 2 mg/kg of dose in a dosing vehicle of 10/10/80 cremaphor/DMSO/water ChEMBL. 15990298
Cmax (ADMET) = 250 ng ml-1 Maximum concentration upon oral administration of 10 mg/kg of dose in a dosing vehicle of 10/10/80 cremaphor/DMSO/water ChEMBL. 15990298
F (ADMET) = 32 % Bioavailability upon oral administration of 10 mg/kg of dose in a dosing vehicle of 10/10/80 cremaphor/DMSO/water ChEMBL. 15990298
Ki (binding) = 42 nM Displacement of [125I]-Tyr-o- CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 cells ChEMBL. 15990298
Ki (binding) = 42 nM Displacement of [125I]-Tyr-o- CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 cells ChEMBL. 15990298
T max (ADMET) = 4 hr Maximum time to reach peak concentration upon oral administration of 10 mg/kg of dose in a dosing vehicle of 10/10/80 cremaphor/DMSO/water ChEMBL. 15990298
Vd (ADMET) = 5.7 l kg-1 Volume of distribution upon intravenous administration of 2 mg/kg of dose in a dosing vehicle of 10/10/80 cremaphor/DMSO/water ChEMBL. 15990298

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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