Detailed information for compound 441591

Basic information

Technical information
  • TDR Targets ID: 441591
  • Name: (3aR,4S,9bS)-4-(3-hydroxyphenyl)-1,2,3,3a,4,9 b-hexahydrocyclopenta[c]chromen-8-ol
  • MW: 282.334 | Formula: C18H18O3
  • H donors: 2 H acceptors: 2 LogP: 4.01 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc2c(c1)[C@H]1CCC[C@H]1[C@H](O2)c1cccc(c1)O
  • InChi: 1S/C18H18O3/c19-12-4-1-3-11(9-12)18-15-6-2-5-14(15)16-10-13(20)7-8-17(16)21-18/h1,3-4,7-10,14-15,18-20H,2,5-6H2/t14-,15+,18+/m0/s1
  • InChiKey: LMFHDCLCGCICJP-HDMKZQKVSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3aR,4S,9bS)-4-(3-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c][1]benzopyran-8-ol

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens estrogen receptor 1 Starlite/ChEMBL References
Homo sapiens estrogen receptor 2 (ER beta) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) hypothetical protein estrogen receptor 2 (ER beta) 495 aa 418 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit 0.003 0.1373 0.1373
Echinococcus multilocularis potassium voltage gated channel subfamily C 0.003 0.1373 0.2204
Echinococcus multilocularis calcium activated potassium channel 0.003 0.1373 0.2204
Echinococcus granulosus calcium activated potassium channel 0.003 0.1373 0.2204
Schistosoma mansoni voltage-gated potassium channel 0.003 0.1373 0.2204
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.003 0.1373 0.2204
Echinococcus granulosus potassium voltage gated channel subfamily H 0.003 0.1373 0.2204
Echinococcus multilocularis transient receptor potential gamma protein 0.003 0.1373 0.2204
Echinococcus granulosus two pore calcium channel protein 2 0.003 0.1373 0.2204
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.003 0.1373 0.2204
Echinococcus granulosus short transient receptor potential channel 6 0.003 0.1373 0.2204
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.003 0.1373 0.2204
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit. C. elegans egl-36 ortholog 0.003 0.1373 0.1373
Brugia malayi Large-conductance calcium-activated potassium channel Slo-1 (KCNMA) alpha subunit. C. elegans slo-1 ortholog 0.003 0.1373 0.1373
Echinococcus granulosus Potassium voltage gated channel protein Shaw 0.003 0.1373 0.2204
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0042 0.2501 0.0954
Brugia malayi Transient-receptor-potential like protein 0.003 0.1373 0.1373
Leishmania major guanosine monophosphate reductase 0.008 0.623 1
Schistosoma mansoni voltage-gated potassium channel 0.003 0.1373 0.2204
Echinococcus granulosus potassium voltage gated channel protein 0.003 0.1373 0.2204
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.008 0.623 0.623
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0033 0.1642 0.1642
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.003 0.1373 0.1373
Echinococcus multilocularis potassium voltage gated channel protein 0.003 0.1373 0.2204
Schistosoma mansoni transient receptor potential channel 0.003 0.1373 0.2204
Brugia malayi Voltage-gated calcium channel, alpha subunit 0.003 0.1373 0.1373
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.003 0.1373 0.8365
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.008 0.623 1
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.008 0.623 1
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0075 0.5764 0.5
Echinococcus multilocularis two pore calcium channel protein 1 0.003 0.1373 0.2204
Loa Loa (eye worm) hypothetical protein 0.003 0.1373 0.1373
Loa Loa (eye worm) voltage-gated potassium channel 0.003 0.1373 0.1373
Echinococcus granulosus voltage gated potassium channel 0.003 0.1373 0.2204
Brugia malayi olfactory channel protein osm-9 0.003 0.1373 0.1373
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.003 0.1373 0.1373
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.003 0.1373 0.1373
Echinococcus multilocularis transient receptor potential cation channel 0.003 0.1373 0.2204
Echinococcus granulosus potassium voltage gated channel protein 0.003 0.1373 0.2204
Schistosoma mansoni transient receptor potential channel 0.003 0.1373 0.2204
Echinococcus multilocularis transfer RNA-Gly 0.003 0.1373 0.2204
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.003 0.1373 0.5
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.008 0.623 1
Loa Loa (eye worm) ryanodine receptor 0.003 0.1373 0.1373
Loa Loa (eye worm) hypothetical protein 0.003 0.1373 0.1373
Echinococcus multilocularis TRP (transient receptor potential) channel 0.003 0.1373 0.2204
Schistosoma mansoni voltage-gated potassium channel 0.003 0.1373 0.2204
Brugia malayi hypothetical protein 0.003 0.1373 0.1373
Trypanosoma brucei GMP reductase 0.008 0.623 1
Echinococcus multilocularis shaker cognate 0.003 0.1373 0.2204
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.003 0.1373 0.2204
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.008 0.623 1
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.003 0.1373 0.2204
Echinococcus granulosus voltage dependent calcium channel 0.003 0.1373 0.2204
Echinococcus multilocularis voltage gated hydrogen channel 1 0.003 0.1373 0.2204
Schistosoma mansoni hypothetical protein 0.003 0.1373 0.2204
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.008 0.623 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 1 1
Brugia malayi Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit 0.003 0.1373 0.1373
Toxoplasma gondii IMP dehydrogenas 0.008 0.623 1
Schistosoma mansoni voltage-gated potassium channel 0.003 0.1373 0.2204
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.003 0.1373 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.1373 0.1373
Echinococcus multilocularis voltage dependent calcium channel 0.003 0.1373 0.2204
Echinococcus multilocularis potassium large conductance calcium activated 0.003 0.1373 0.2204
Echinococcus granulosus short transient receptor potential channel 6 0.003 0.1373 0.2204
Echinococcus granulosus transient receptor potential cation channel 0.003 0.1373 0.2204
Schistosoma mansoni vesicular amine transporter 0.003 0.1373 0.2204
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.003 0.1373 0.2204
Loa Loa (eye worm) hypothetical protein 0.003 0.1373 0.1373
Echinococcus granulosus hyperpolarization activated cyclic 0.003 0.1373 0.2204
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.003 0.1373 0.2204
Brugia malayi Ryanodine Receptor TM 4-6 family protein 0.003 0.1373 0.1373
Echinococcus multilocularis conserved hypothetical protein 0.003 0.1373 0.2204
Echinococcus granulosus transient receptor potential gamma protein 0.003 0.1373 0.2204
Echinococcus granulosus two pore calcium channel protein 1 0.003 0.1373 0.2204
Echinococcus granulosus potassium voltage gated channel protein 0.003 0.1373 0.2204
Loa Loa (eye worm) hypothetical protein 0.003 0.1373 0.1373
Echinococcus multilocularis short transient receptor potential channel 6 0.003 0.1373 0.2204
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.003 0.1373 0.1373
Brugia malayi GMP reductase 0.0033 0.1642 0.1642
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.003 0.1373 0.2204
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.003 0.1373 0.2204
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.003 0.1373 0.2204
Schistosoma mansoni inositol 145-trisphosphate receptor 0.003 0.1373 0.2204
Echinococcus granulosus ryanodine receptor 44f 0.003 0.1373 0.2204
Loa Loa (eye worm) hypothetical protein 0.003 0.1373 0.1373
Loa Loa (eye worm) hypothetical protein 0.003 0.1373 0.1373
Schistosoma mansoni 60S ribosomal protein L21 0.003 0.1373 0.2204
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0075 0.5764 0.8869
Trypanosoma cruzi GMP reductase 0.008 0.623 1
Schistosoma mansoni voltage-gated potassium channel 0.003 0.1373 0.2204
Loa Loa (eye worm) hypothetical protein 0.003 0.1373 0.1373
Echinococcus granulosus voltage gated hydrogen channel 1 0.003 0.1373 0.2204
Brugia malayi Voltage-gated calcium channel, P/Q-type, alpha subunit. C. elegans unc-2 ortholog 0.003 0.1373 0.1373
Loa Loa (eye worm) transcription factor SMAD2 0.0118 1 1
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0075 0.5764 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.1373 0.1373
Loa Loa (eye worm) calcium channel 0.003 0.1373 0.1373
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.003 0.1373 0.1373
Schistosoma mansoni voltage-gated potassium channel 0.003 0.1373 0.2204
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.008 0.623 1
Schistosoma mansoni voltage-gated potassium channel 0.003 0.1373 0.2204
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.003 0.1373 0.2204
Schistosoma mansoni voltage-gated potassium channel 0.003 0.1373 0.2204
Loa Loa (eye worm) voltage-gated calcium channel 0.003 0.1373 0.1373
Echinococcus granulosus transient receptor potential cation channel 0.003 0.1373 0.2204
Loa Loa (eye worm) voltage-dependent calcium channel 0.003 0.1373 0.1373
Schistosoma mansoni voltage-gated potassium channel 0.003 0.1373 0.2204
Echinococcus granulosus transient receptor potential cation channel 0.003 0.1373 0.2204
Echinococcus multilocularis transient receptor potential cation channel 0.003 0.1373 0.2204
Loa Loa (eye worm) hypothetical protein 0.003 0.1373 0.1373
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.003 0.1373 0.1373
Brugia malayi ion channel NompC 0.003 0.1373 0.1373
Schistosoma mansoni voltage-gated potassium channel 0.003 0.1373 0.2204
Schistosoma mansoni calcium-activated potassium channel 0.003 0.1373 0.2204
Echinococcus granulosus sodium channel protein 0.003 0.1373 0.2204
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.008 0.623 1
Echinococcus granulosus voltage gated potassium channel 0.003 0.1373 0.2204
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.003 0.1373 0.2204
Echinococcus granulosus potassium voltage gated channel subfamily D 0.003 0.1373 0.2204
Loa Loa (eye worm) hypothetical protein 0.003 0.1373 0.1373
Echinococcus granulosus transient receptor potential cation channel 0.003 0.1373 0.2204
Loa Loa (eye worm) hypothetical protein 0.003 0.1373 0.1373
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.003 0.1373 0.2204
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.003 0.1373 0.2204
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.003 0.1373 0.2204
Echinococcus granulosus potassium voltage gated channel protein 0.003 0.1373 0.2204
Schistosoma mansoni voltage-gated ion channel 0.003 0.1373 0.2204
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.003 0.1373 0.2204
Echinococcus granulosus cyclic nucleotide gated cation channel 0.003 0.1373 0.2204
Echinococcus granulosus potassium voltage gated channel subfamily D 0.003 0.1373 0.2204
Schistosoma mansoni voltage-gated potassium channel 0.003 0.1373 0.2204
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.003 0.1373 0.2204
Schistosoma mansoni voltage-gated potassium channel 0.003 0.1373 0.2204
Leishmania major inosine-5-monophosphate dehydrogenase 0.008 0.623 1
Schistosoma mansoni voltage-gated potassium channel KCNQ 0.003 0.1373 0.2204
Echinococcus multilocularis potassium voltage gated channel protein 0.003 0.1373 0.2204
Echinococcus granulosus potassium channel KvQLT family member kqt 1 0.003 0.1373 0.2204
Schistosoma mansoni two-pore calcium channel 0.003 0.1373 0.2204
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.003 0.1373 0.2204
Trypanosoma cruzi GMP reductase 0.008 0.623 1
Echinococcus multilocularis transient receptor potential cation channel 0.003 0.1373 0.2204
Echinococcus multilocularis voltage gated potassium channel 0.003 0.1373 0.2204
Echinococcus multilocularis two pore calcium channel protein 2 0.003 0.1373 0.2204
Brugia malayi cation channel family protein 0.003 0.1373 0.1373
Schistosoma mansoni voltage-gated potassium channel 0.003 0.1373 0.2204
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.003 0.1373 0.2204
Loa Loa (eye worm) voltage-gated potassium channel 0.003 0.1373 0.1373
Echinococcus granulosus shaker cognate 0.003 0.1373 0.2204
Loa Loa (eye worm) hypothetical protein 0.003 0.1373 0.1373
Schistosoma mansoni transient receptor potential channel 4 0.003 0.1373 0.2204
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.003 0.1373 0.8365
Echinococcus multilocularis sodium channel protein 0.003 0.1373 0.2204
Echinococcus granulosus sodium leak channel non selective protein 0.003 0.1373 0.2204
Schistosoma mansoni voltage-gated potassium channel 0.003 0.1373 0.2204
Loa Loa (eye worm) hypothetical protein 0.003 0.1373 0.1373
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.003 0.1373 0.2204
Schistosoma mansoni voltage-gated potassium channel 0.003 0.1373 0.2204
Brugia malayi voltage-dependent calcium channel 0.003 0.1373 0.1373
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit 0.003 0.1373 0.1373
Loa Loa (eye worm) hypothetical protein 0.003 0.1373 0.1373
Onchocerca volvulus 0.003 0.1373 0.8365
Echinococcus granulosus transient receptor potential cation channel 0.003 0.1373 0.2204
Echinococcus multilocularis hyperpolarization activated cyclic 0.003 0.1373 0.2204
Onchocerca volvulus Putative GMP reductase 0.0033 0.1642 1
Brugia malayi cation channel family protein 0.003 0.1373 0.1373
Echinococcus granulosus cyclic nucleotide gated cation channel 0.003 0.1373 0.2204
Loa Loa (eye worm) hypothetical protein 0.003 0.1373 0.1373
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.003 0.1373 0.2204
Schistosoma mansoni calcium channel voltage-dependent p/q type alpha 1a-related 0.003 0.1373 0.2204
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.008 0.623 1
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.003 0.1373 0.1373
Loa Loa (eye worm) hypothetical protein 0.003 0.1373 0.1373
Echinococcus granulosus TRP transient receptor potential channel 0.003 0.1373 0.2204
Schistosoma mansoni transient receptor potential channel 0.003 0.1373 0.2204
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.003 0.1373 0.2204
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit 0.003 0.1373 0.1373
Echinococcus granulosus potassium voltage gated channel subfamily C 0.003 0.1373 0.2204
Echinococcus multilocularis short transient receptor potential channel 6 0.003 0.1373 0.2204
Echinococcus multilocularis transient receptor potential cation channel 0.003 0.1373 0.2204
Echinococcus multilocularis ryanodine receptor 44f 0.003 0.1373 0.2204
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.008 0.623 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.003 0.1373 0.2204
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.008 0.623 1
Loa Loa (eye worm) GMP reductase 0.0033 0.1642 0.1642
Loa Loa (eye worm) hypothetical protein 0.003 0.1373 0.1373
Echinococcus multilocularis transient receptor potential cation channel 0.003 0.1373 0.2204
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.003 0.1373 0.2204
Loa Loa (eye worm) hypothetical protein 0.003 0.1373 0.1373
Schistosoma mansoni voltage-gated potassium channel 0.003 0.1373 0.2204
Echinococcus granulosus potassium voltage gated channel subfamily D 0.003 0.1373 0.2204
Brugia malayi Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit. C. elegans exp-2 ortholog 0.003 0.1373 0.1373
Echinococcus granulosus potassium large conductance calcium activated 0.003 0.1373 0.2204
Schistosoma mansoni voltage-gated potassium channel 0.003 0.1373 0.2204
Echinococcus granulosus hypothetical protein 0.003 0.1373 0.2204
Loa Loa (eye worm) hypothetical protein 0.003 0.1373 0.1373
Echinococcus granulosus potassium voltage gated channel subfamily H 0.003 0.1373 0.2204
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.003 0.1373 0.2204
Schistosoma mansoni voltage-dependent calcium channel 0.003 0.1373 0.2204
Echinococcus granulosus voltage dependent calcium channel 0.003 0.1373 0.2204
Echinococcus granulosus hyperpolarization activated cyclic 0.003 0.1373 0.2204
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.003 0.1373 0.2204
Echinococcus multilocularis transient receptor potential cation channel 0.003 0.1373 0.2204
Echinococcus granulosus potassium voltage gated channel subfamily A 0.003 0.1373 0.2204
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog 0.003 0.1373 0.1373
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0033 0.1642 0.1642
Echinococcus multilocularis potassium voltage gated channel protein 0.003 0.1373 0.2204
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.003 0.1373 0.2204
Schistosoma mansoni voltage-gated cation channel 0.003 0.1373 0.2204
Echinococcus multilocularis voltage gated potassium channel 0.003 0.1373 0.2204
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.003 0.1373 0.2204
Loa Loa (eye worm) hypothetical protein 0.003 0.1373 0.1373
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.003 0.1373 0.2204
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.003 0.1373 0.2204
Loa Loa (eye worm) IMP dehydrogenase 1 0.008 0.623 0.623
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.003 0.1373 0.2204
Schistosoma mansoni voltage-gated potassium channel 0.003 0.1373 0.2204
Echinococcus multilocularis hyperpolarization activated cyclic 0.003 0.1373 0.2204
Echinococcus multilocularis potassium voltage gated channel protein 0.003 0.1373 0.2204
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.003 0.1373 0.2204
Echinococcus granulosus potassium voltage gated channel protein 0.003 0.1373 0.2204
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.003 0.1373 0.2204
Echinococcus multilocularis voltage dependent calcium channel 0.003 0.1373 0.2204
Loa Loa (eye worm) hypothetical protein 0.003 0.1373 0.1373
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.003 0.1373 0.2204
Echinococcus granulosus transient receptor potential cation channel 0.003 0.1373 0.2204
Schistosoma mansoni ryanodine receptor related 0.003 0.1373 0.2204
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.008 0.623 1
Brugia malayi Cyclic-nucleotide gated cation channel 0.003 0.1373 0.1373
Loa Loa (eye worm) ion channel NompC 0.003 0.1373 0.1373
Echinococcus multilocularis sodium leak channel non selective protein 0.003 0.1373 0.2204

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 18.5 nM Binding affinity to human ERbeta ChEMBL. 17485205
Ki (binding) = 18.5 nM Binding affinity to human ERbeta ChEMBL. 17485205
Ki (binding) = 65 nM Binding affinity to human ERalpha ChEMBL. 17485205
Ki (binding) = 65 nM Binding affinity to human ERalpha ChEMBL. 17485205
Ratio Ki (binding) = 4 Selectivity for human ERbeta over human ERalpha ChEMBL. 17485205

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.

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