Showing entry for Sc-560


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0045252
Compound NameSc-560
Structure
FormulaC17H12ClF3N2O
InchiKeyPQUGCKBLVKJMNT-UHFFFAOYSA-N
SMILESCOc1ccc(cc1)n1nc(cc1c1ccc(cc1)Cl)C(F)(F)F
InchiInChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
IUPAC5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole
Molecular Weight352.06
Pubchem Id4306515
Chembl IdCHEMBL26915
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB 13065
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
reviewed BXGT005689 Carbonic anhydrase 1 reviewed CA1 - >100000 - -
reviewed BXGT005690 Carbonic anhydrase 2 reviewed CA2 - >100000 - -
reviewed BXGT019579 Carbonic anhydrase 4 reviewed CA4 - >100000 - -
reviewed BXGT013670 Carbonic anhydrase 9 reviewed CA9 - >100000 - -
reviewed BXGT006400 Prostaglandin G/H synthase 1 reviewed PTGS1 - 66 - -
reviewed BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 - 7 - -
reviewed BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 - 74900 - -
reviewed BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 - 10 - -
reviewed BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 - 7.8 - -
reviewed BXGT011858 Prostaglandin G/H synthase 2 reviewed PTGS2 - 74900 - -
reviewed BXGT006400 Prostaglandin G/H synthase 1 reviewed PTGS1 - 7 - -
reviewed BXGT006400 Prostaglandin G/H synthase 1 reviewed PTGS1 - 8.5 - -
reviewed BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 - 160 - -
reviewed BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 - 9 - -
reviewed BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 - 6300 - -
reviewed BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 - 8.9 - -
CHEMBL CHEMBL26915
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 37685 nM
Q95323 BXGT019579 Carbonic anhydrase 4 reviewed - CA4 IC50 '>' 100000 nM
Q16665 BXGT013653 Hypoxia-inducible factor 1-alpha reviewed Transcription factor HIF1A Potency '=' 5011 nM
P05979 BXGT006400 Prostaglandin G/H synthase 1 reviewed - PTGS1 Inhibition '=' 100 %
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 AC50 '=' 501 nM
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 Activity '=' 12 %
P08482 BXGT006775 Muscarinic acetylcholine receptor M1 reviewed - Chrm1 Potency '=' 5623 nM
P40225 BXGT010168 Thrombopoietin reviewed - THPO Potency '=' 5011 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 AC50 - - -
Q01453 BXGT012588 Peripheral myelin protein 22 reviewed Cellular structure PMP22 Potency '=' 84921 nM
P54132 BXGT011032 Bloom syndrome protein reviewed - BLM Potency '=' 28183 nM
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 IC50 '=' 7 nM
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 44668 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 39810 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 AC50 '=' 39810 nM
Q194T2 BXGT013743 Non-structural protein 1 unreviewed - NS1 Potency '=' 15848 nM
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 IC50 '=' 6300 nM
P08482 BXGT006775 Muscarinic acetylcholine receptor M1 reviewed - Chrm1 Potency '=' 17782 nM
P79208 BXGT011858 Prostaglandin G/H synthase 2 reviewed - PTGS2 IC50 '=' 74900 nM
P05979 BXGT006400 Prostaglandin G/H synthase 1 reviewed - PTGS1 Inhibition '=' 32 %
P16473 BXGT008234 Thyrotropin receptor reviewed G-protein coupled receptor TSHR Potency '=' 19952 nM
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 Activity '=' 0 %
Q16790 BXGT013670 Carbonic anhydrase 9 reviewed - CA9 IC50 '>' 100000 nM
P05979 BXGT006400 Prostaglandin G/H synthase 1 reviewed - PTGS1 Inhibition '=' 34 %
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 IC50 '=' 53 nM
Q99549 BXGT019932 M-phase phosphoprotein 8 reviewed Epigenetic regulator MPHOSPH8 Potency - 56234 nM
Q63921 BXGT016082 Prostaglandin G/H synthase 1 reviewed - Ptgs1 Inhibition '=' 79 %
P35355 BXGT009817 Prostaglandin G/H synthase 2 reviewed - Ptgs2 Inhibition '=' 79 %
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 28183 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 28183 nM
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 IC50 '=' 10 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 Potency '=' 7943 nM
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 IC50 '=' 7 nM
Q6W5P4 BXGT016588 Neuropeptide S receptor reviewed - NPSR1 Potency '=' 10000 nM
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 IC50 '=' 74900 nM
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 Inhibition '=' 92 %
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 Inhibition '=' 28 %
Q12809 BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 Potency - 31622 nM
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 Inhibition '=' 95 %
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 AC50 '=' 25118 nM
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 IC50 '=' 9 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 31622 nM
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 Inhibition '=' 57 %
P05979 BXGT006400 Prostaglandin G/H synthase 1 reviewed - PTGS1 IC50 '=' 7 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 AC50 '=' 7943 nM
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 Inhibition '=' 61 %
P00918 BXGT005690 Carbonic anhydrase 2 reviewed - CA2 IC50 '>' 100000 nM
P05979 BXGT006400 Prostaglandin G/H synthase 1 reviewed - PTGS1 IC50 '=' 8 nM
P00915 BXGT005689 Carbonic anhydrase 1 reviewed - CA1 IC50 '>' 100000 nM
P05979 BXGT006400 Prostaglandin G/H synthase 1 reviewed - PTGS1 Inhibition '=' 36 %
P79208 BXGT011858 Prostaglandin G/H synthase 2 reviewed - PTGS2 Inhibition '=' 2 %
P05979 BXGT006400 Prostaglandin G/H synthase 1 reviewed - PTGS1 Inhibition '=' 97 %
P0A6C1 BXGT007045 Endonuclease 4 reviewed - nfo Potency '=' 25118 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 Potency '=' 25118 nM
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 Inhibition - - -
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 IC50 '=' 160 nM
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 Activity '=' 0 %
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 IC50 - - -
P05979 BXGT006400 Prostaglandin G/H synthase 1 reviewed - PTGS1 IC50 '=' 77 nM
P05979 BXGT006400 Prostaglandin G/H synthase 1 reviewed - PTGS1 Inhibition '=' 95 %
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 Activity '=' 0 %
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 IC50 '>' 10000 nM
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 IC50 '=' 8 nM
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 Inhibition - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF02452 Alstonia yunnanensis Alstonia yunnanensis Medicinal Plant
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease