Detailed information for compound 500269

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 455.439 | Formula: C23H23F6N3
  • H donors: 0 H acceptors: 1 LogP: 6.9 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(n1cc2c3c1cc(C)nc3N(CC2)c1ccc(cc1C(F)(F)F)C(F)(F)F)CC
  • InChi: 1S/C23H23F6N3/c1-4-16(5-2)32-12-14-8-9-31(21-20(14)19(32)10-13(3)30-21)18-7-6-15(22(24,25)26)11-17(18)23(27,28)29/h6-7,10-12,16H,4-5,8-9H2,1-3H3
  • InChiKey: VDSMSJWLEJGXKA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 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
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 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
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
Loa Loa (eye worm) hypothetical protein 0.0013 0.0189 0.0139
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0129 0.0892
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0482 1
Brugia malayi orphan nuclear receptor NR2E1 0.0012 0.0157 0.0106
Loa Loa (eye worm) hypothetical protein 0.0012 0.0157 0.0106
Loa Loa (eye worm) nuclear receptor NHR-67 0.0012 0.0157 0.0106
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0025 0.0462 0.031
Brugia malayi Steroid receptor seven-up type 2 0.0025 0.0462 0.0412
Onchocerca volvulus Bile acid receptor homolog 0.0025 0.0462 0.031
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0317 0.0594
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0025 0.0462 0.0412
Schistosoma mansoni nuclear receptor 0.0012 0.0157 0.1087
Schistosoma mansoni nuclear receptor 0.0012 0.0157 0.1087
Schistosoma mansoni DNA helicase recq5 0.001 0.0111 0.0769
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.001 0.0111 0.0133
Echinococcus multilocularis Protein lozenge 0.0056 0.1154 0.2467
Loa Loa (eye worm) hypothetical protein 0.0025 0.0462 0.0412
Brugia malayi nuclear receptor RXR 0.0013 0.0189 0.0139
Echinococcus granulosus bloom syndrome protein 0.0024 0.0433 0.0854
Loa Loa (eye worm) runx1 0.0056 0.1154 0.1108
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0025 0.0462 0.0918
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0317 0.0594
Leishmania major hypothetical protein, conserved 0.0026 0.0482 1
Brugia malayi tailless protein 0.0012 0.0157 0.0106
Loa Loa (eye worm) hypothetical protein 0.0013 0.0189 0.0139
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0111 0.23
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0015 0.0216 0.1495
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0025 0.0462 0.0918
Schistosoma mansoni jun-related protein 0.0069 0.1443 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0025 0.0462 0.0918
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0025 0.0462 0.0918
Schistosoma mansoni hypothetical protein 0.0019 0.0317 0.2196
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0482 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0012 0.0157 0.0236
Loa Loa (eye worm) hypothetical protein 0.0013 0.0189 0.0139
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0025 0.0462 0.0412
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0037 0.0727 0.1512
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0012 0.0157 0.0236
Echinococcus multilocularis jun protein 0.0085 0.1802 0.3919
Brugia malayi Death domain containing protein 0.0014 0.0213 0.0162
Echinococcus multilocularis GPCR, family 2 0.0019 0.0317 0.0594
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0025 0.0462 0.0918
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0014 0.0213 0.0362
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.0672 1
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.0433 0.0384
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0025 0.0462 0.3199
Schistosoma mansoni netrin receptor unc5 0.0014 0.0213 0.1476
Loa Loa (eye worm) hypothetical protein 0.0245 0.5453 0.543
Echinococcus granulosus nuclear receptor nhr 48 0.0012 0.0157 0.0236
Brugia malayi Nuclear hormone receptor E75 0.0012 0.0157 0.0106
Brugia malayi Immunoglobulin I-set domain containing protein 0.0014 0.0213 0.0162
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0012 0.0157 0.0106
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.001 0.0111 0.0133
Schistosoma mansoni 60S ribosomal protein L21 0.0006 0.0017 0.0121
Echinococcus granulosus voltage gated potassium channel 0.0011 0.0129 0.0173
Brugia malayi nuclear hormone receptor 0.0012 0.0157 0.0106
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0317 0.0267
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1251 0.1206
Loa Loa (eye worm) hypothetical protein 0.0025 0.0462 0.0412
Echinococcus multilocularis bloom syndrome protein 0.0024 0.0433 0.0854
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0482 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0025 0.0462 0.0918
Loa Loa (eye worm) hypothetical protein 0.0026 0.0482 0.0433
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.0433 0.6151
Loa Loa (eye worm) hypothetical protein 0.0025 0.0462 0.0412
Echinococcus granulosus FTZ F1 alpha 0.0025 0.0462 0.0918
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0025 0.0462 0.0412
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0025 0.0462 0.0412
Brugia malayi bZIP transcription factor family protein 0.0085 0.1802 0.176
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0204 0.4519 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0111 0.006
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0317 0.0267
Echinococcus granulosus ecdysone induced protein 78C 0.0025 0.0462 0.0918
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.0366 0.6874
Echinococcus multilocularis ecdysone induced protein 78C 0.0025 0.0462 0.0918
Onchocerca volvulus 0.0446 1 1
Brugia malayi ecdysteroid receptor 0.0025 0.0462 0.0412
Echinococcus multilocularis nuclear receptor nhr 48 0.0012 0.0157 0.0236
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0025 0.0462 0.0412
Entamoeba histolytica recQ family helicase, putative 0.0013 0.0178 1
Brugia malayi nuclear receptor NHR-67 0.0012 0.0157 0.0106
Schistosoma mansoni blooms syndrome DNA helicase 0.0019 0.0318 0.22
Echinococcus granulosus Nuclear hormone receptor HR96 0.0012 0.0157 0.0236
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0251 0.5202
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0012 0.0157 0.0236
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0025 0.0462 0.0918
Loa Loa (eye worm) hypothetical protein 0.0446 1 1
Brugia malayi nuclear hormone receptor 0.0025 0.0462 0.0412
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0025 0.0462 0.0412
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0007 0.0051 0.0356
Brugia malayi hypothetical protein 0.0066 0.1391 0.1346
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0178 0.0378
Echinococcus granulosus jun protein 0.0085 0.1802 0.3919
Brugia malayi nuclear receptor RXR 0.0012 0.0157 0.0106
Schistosoma mansoni lozenge 0.0056 0.1154 0.7993
Schistosoma mansoni hypothetical protein 0.0014 0.0213 0.1476
Echinococcus granulosus Nuclear hormone receptor HR96 0.0012 0.0157 0.0236
Brugia malayi Nuclear hormone receptor E75 0.0012 0.0157 0.0106
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0012 0.0166 0.5
Schistosoma mansoni nuclear receptor nhr-48 0.0012 0.0157 0.1087
Echinococcus granulosus ATP dependent DNA helicase Q1 0.001 0.0111 0.0133
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0012 0.0157 0.0236
Loa Loa (eye worm) hypothetical protein 0.0122 0.2644 0.2606
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0074 0.1566 0.3391
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0025 0.0462 0.3199
Loa Loa (eye worm) hypothetical protein 0.0012 0.0157 0.0106
Loa Loa (eye worm) hypothetical protein 0.0012 0.0157 0.0106
Brugia malayi steroid hormone receptor 0.0025 0.0462 0.0412
Loa Loa (eye worm) hypothetical protein 0.0012 0.0157 0.0106
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0433 0.6151
Echinococcus granulosus netrin receptor unc 5 0.0014 0.0213 0.0362
Loa Loa (eye worm) hypothetical protein 0.0025 0.0462 0.0412
Loa Loa (eye worm) hypothetical protein 0.0025 0.0462 0.0412
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0014 0.0213 0.0162
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0025 0.0462 0.0412
Loa Loa (eye worm) hypothetical protein 0.0014 0.0213 0.0162
Loa Loa (eye worm) hypothetical protein 0.0012 0.0157 0.0106
Onchocerca volvulus 0.0025 0.0462 0.031
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0014 0.0213 0.0362
Loa Loa (eye worm) hypothetical protein 0.0041 0.0819 0.0771
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0011 0.0129 0.0078
Brugia malayi nuclear hormone receptor family member nhr-6 0.0012 0.0157 0.0106
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0013 0.0189 0.0309
Loa Loa (eye worm) hypothetical protein 0.0009 0.0085 0.0034
Onchocerca volvulus Netrin receptor homolog 0.0014 0.0213 0.0057
Loa Loa (eye worm) hypothetical protein 0.0012 0.0157 0.0106
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0025 0.0462 0.0412
Schistosoma mansoni hypothetical protein 0.0012 0.0153 0.1059
Schistosoma mansoni zinc finger protein 0.0012 0.0157 0.1087
Schistosoma mansoni voltage-gated potassium channel 0.0006 0.0017 0.0121
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0482 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0245 0.5453 0.543
Brugia malayi hypothetical protein 0.0013 0.0189 0.0139
Brugia malayi ecdysone receptor 0.0012 0.0157 0.0106
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0025 0.0462 0.0412
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0013 0.0189 0.1313
Loa Loa (eye worm) hypothetical protein 0.0032 0.0616 0.0567
Loa Loa (eye worm) RecQ helicase 0.0024 0.0433 0.0384
Brugia malayi Cytochrome P450 family protein 0.0012 0.0166 0.0115
Brugia malayi hypothetical protein 0.0026 0.0482 0.0433
Schistosoma mansoni hypothetical protein 0.0019 0.0317 0.2196
Brugia malayi photoreceptor-specific nuclear receptor 0.0025 0.0462 0.0412
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0129 0.0892
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0011 0.0129 0.0173
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0007 0.0051 0.0356
Schistosoma mansoni ankyrin 23/unc44 0.0014 0.0213 0.1476
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0233 0.5174 0.5149
Loa Loa (eye worm) hypothetical protein 0.0012 0.0157 0.0106
Brugia malayi hypothetical protein 0.0017 0.0271 0.022
Echinococcus granulosus ATP dependent DNA helicase Q5 0.001 0.0111 0.0133
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0111 0.006
Schistosoma mansoni retinoic acid receptor RXR 0.0025 0.0462 0.3199
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0025 0.0462 0.0412
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0157 0.0236
Schistosoma mansoni voltage-gated potassium channel 0.0041 0.0804 0.5574
Brugia malayi Cytochrome P450 family protein 0.0012 0.0166 0.0115
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0025 0.0462 0.0918
Brugia malayi follicle stimulating hormone receptor 0.0233 0.5174 0.5149
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0037 0.0727 0.1512
Loa Loa (eye worm) hypothetical protein 0.0082 0.175 0.1707
Loa Loa (eye worm) nuclear hormone receptor 0.0012 0.0157 0.0106
Brugia malayi hypothetical protein 0.0013 0.0189 0.0139
Treponema pallidum ATP-dependent DNA helicase 0.0005 0 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0025 0.0462 0.0412
Echinococcus multilocularis voltage gated potassium channel 0.0011 0.0129 0.0173
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0013 0.0189 0.0139
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0025 0.0462 0.0412
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0482 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0157 0.0106
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0025 0.0462 0.0412
Loa Loa (eye worm) hypothetical protein 0.0013 0.0189 0.0139
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0025 0.0462 0.0412
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0012 0.0157 0.1087
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0025 0.0462 0.3199
Brugia malayi hypothetical protein 0.0012 0.0157 0.0106
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1251 0.1206
Schistosoma mansoni thyroid hormone receptor 0.0025 0.0462 0.3199
Brugia malayi Nuclear hormone receptor-like 1 0.0013 0.0189 0.0139
Schistosoma mansoni voltage-gated potassium channel 0.0041 0.0804 0.5574
Schistosoma mansoni coup transcription factor 0.0025 0.0462 0.3199
Echinococcus granulosus death domain containing protein 0.0014 0.0213 0.0362
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0153 0.0227
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0204 0.4519 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0085 0.1802 0.3919
Loa Loa (eye worm) hypothetical protein 0.0015 0.0216 0.0165
Loa Loa (eye worm) hypothetical protein 0.0025 0.0462 0.0412
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0111 0.23
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0025 0.0462 0.3199
Schistosoma mansoni voltage-gated potassium channel 0.0007 0.0051 0.0356
Loa Loa (eye worm) hypothetical protein 0.0012 0.0157 0.0106
Loa Loa (eye worm) hypothetical protein 0.0012 0.0157 0.0106
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0111 0.006
Echinococcus multilocularis FTZ F1 alpha 0.0025 0.0462 0.0918
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0025 0.0462 0.0918
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0013 0.0189 0.0309
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0025 0.0462 0.0412
Loa Loa (eye worm) hypothetical protein 0.0019 0.0317 0.0267
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0012 0.0157 0.1087
Schistosoma mansoni hypothetical protein 0.0041 0.0819 0.5672
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0025 0.0462 0.0918
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0025 0.0462 0.3199
Brugia malayi Uncoordinated protein 44 0.0014 0.0213 0.0162
Giardia lamblia Sgs1 DNA helicase, putative 0.001 0.0111 0.5
Brugia malayi nuclear receptor NHR-88 0.0025 0.0462 0.0412
Echinococcus granulosus GPCR family 2 0.0019 0.0317 0.0594
Brugia malayi nuclear hormone receptor family member odr-7 0.0012 0.0157 0.0106
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0012 0.0157 0.0106
Echinococcus granulosus Ankyrin 0.0015 0.0216 0.0368
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0157 0.1087
Schistosoma mansoni hypothetical protein 0.0069 0.1443 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.0672 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0012 0.0157 0.0236
Echinococcus granulosus thyroid hormone receptor alpha 0.0012 0.0157 0.0236
Brugia malayi Protein kinase domain containing protein 0.0014 0.0213 0.0162
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0025 0.0462 0.0412
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0153 0.0227
Schistosoma mansoni hypothetical protein 0.0019 0.0317 0.2196
Schistosoma mansoni steroid hormone receptor ad4bp 0.0025 0.0462 0.3199
Loa Loa (eye worm) ATP-dependent DNA helicase 0.001 0.0111 0.006
Schistosoma mansoni nuclear hormone receptor 0.0025 0.0462 0.3199
Loa Loa (eye worm) hypothetical protein 0.0012 0.0157 0.0106
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0007 0.0051 0.0356
Loa Loa (eye worm) hypothetical protein 0.0446 1 1
Onchocerca volvulus 0.0066 0.1391 0.1253
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0025 0.0462 0.0412
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0178 0.0378
Brugia malayi hypothetical protein 0.0012 0.0157 0.0106
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0013 0.0189 0.1313
Loa Loa (eye worm) hypothetical protein 0.0025 0.0462 0.0412
Loa Loa (eye worm) CYP4Cod1 0.0012 0.0166 0.0115
Loa Loa (eye worm) hypothetical protein 0.0011 0.0129 0.0078
Echinococcus multilocularis Ankyrin 0.0015 0.0216 0.0368
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0025 0.0462 0.0918
Echinococcus multilocularis netrin receptor unc 5 0.0014 0.0213 0.0362
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0482 1
Loa Loa (eye worm) DR-78 0.0012 0.0157 0.0106
Brugia malayi conserved hypotetical protein 0.0012 0.0157 0.0106
Brugia malayi Nuclear hormone receptor-like 1 0.0025 0.0462 0.0412
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0819 0.0771
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0157 0.0236
Loa Loa (eye worm) hypothetical protein 0.0012 0.0157 0.0106
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0025 0.0462 0.0918
Loa Loa (eye worm) hypothetical protein 0.0013 0.0189 0.0139
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0007 0.0051 0.0356
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0011 0.0129 0.0173
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0025 0.0462 0.0412
Schistosoma mansoni thyroid hormone receptor 0.0025 0.0462 0.3199
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0037 0.0727 0.0679
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0025 0.0462 0.0918
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0482 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0007 0.0051 0.0356
Schistosoma mansoni RAR-like nuclear receptor 0.0025 0.0462 0.3199
Onchocerca volvulus Protein ultraspiracle homolog 0.0025 0.0462 0.031
Schistosoma mansoni hypothetical protein 0.0019 0.0317 0.2196
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0025 0.0462 0.0918
Echinococcus granulosus nuclear factor of activated T cells 5 0.0074 0.1566 0.3391
Trichomonas vaginalis DNA helicase recq, putative 0.0013 0.0178 0.2035
Brugia malayi nuclear receptor NHR-88 0.0012 0.0157 0.0106
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0178 0.0378
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0166 0.0115
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0317 0.0267
Brugia malayi Nuclear hormone receptor-like 1 0.0013 0.0189 0.0139
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0025 0.0462 0.0412
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0037 0.0727 0.0679
Loa Loa (eye worm) hypothetical protein 0.0025 0.0462 0.0412
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0085 0.1802 0.3919
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0025 0.0462 0.3199
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0157 0.1087
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0025 0.0462 0.0412
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0025 0.0462 0.0412
Loa Loa (eye worm) hypothetical protein 0.0012 0.0157 0.0106
Schistosoma mansoni DNA helicase recq1 0.001 0.0111 0.0769
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0166 0.0115

Activities

Activity type Activity value Assay description Source Reference
AUC (ADMET) = 222 ng.hr/ml AUC in Sprague-Dawley rat at 1 mg/kg, po and 0.4 mg/kg, iv ChEMBL. 17629700
CL (ADMET) = 21 ml/min.kg Plasma clearance in Sprague-Dawley rat at 1 mg/kg, po and 0.4 mg/kg, iv ChEMBL. 17629700
F (ADMET) = 28 % Oral bioavailability in Sprague-Dawley rat at 1 mg/kg ChEMBL. 17629700
IC50 (binding) = -6.9 Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane ChEMBL. 17629700
Log IC50 (binding) = 6.9 Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane ChEMBL. 17629700
t1/2 (ADMET) = 7.6 hr Half life in Sprague-Dawley rat at 1 mg/kg, po and 0.4 mg/kg, iv ChEMBL. 17629700
Vdss (ADMET) = 6.8 L/Kg Volume of distribution at steady state in Sprague-Dawley rat at 1 mg/kg, po and 0.4 mg/kg, iv ChEMBL. 17629700

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

1 literature reference was collected for this gene.

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