Showing entry for Pratol


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0035557
Compound NamePratol
Structure
FormulaC16H12O4
InchiKeySQVXWIUVAILQRH-UHFFFAOYSA-N
SMILESCOc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2)O
InchiInChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)15-9-14(18)13-7-4-11(17)8-16(13)20-15/h2-9,17H,1H3
IUPAC7-hydroxy-2-(4-methoxyphenyl)chromen-4-one
Molecular Weight268.07
Pubchem Id5320693
Chembl IdCHEMBL16751
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 15W
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
Q9H2K2 BXGT020454 Poly [ADP-ribose] polymerase tankyrase-2 reviewed TNKS2 - - - - -
Binding DB 85573
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 BXGT007717 Aromatase reviewed Enzyme CYP19A1 - 100000 - -
reviewed BXGT006934 Poly [ADP-ribose] polymerase 1 reviewed PARP1 - >100000 - -
reviewed BXGT020454 Poly [ADP-ribose] polymerase tankyrase-2 reviewed TNKS2 - 450 - -
reviewed BXGT005369 Poly [ADP-ribose] polymerase tankyrase-1 reviewed TNKS - 560 - -
CHEMBL CHEMBL16751
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
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' 6 %
P63092 BXGT011495 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short reviewed - GNAS Potency - 50118 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 Potency '=' 3981 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 22387 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 22387 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 Potency '=' 3162 nM
P09874 BXGT006934 Poly [ADP-ribose] polymerase 1 reviewed - PARP1 IC50 '>' 100000 nM
Q9H2K2 BXGT020454 Poly [ADP-ribose] polymerase tankyrase-2 reviewed - TNKS2 IC50 '=' 457 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 7943 nM
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency '=' 15848 nM
Q86831 BXGT017584 Polyprotein II unreviewed - Inhibition '=' 13 %
Q05769 BXGT012834 Prostaglandin G/H synthase 2 reviewed - Ptgs2 Inhibition '=' 9 %
P17405 BXGT008304 Sphingomyelin phosphodiesterase reviewed Enzyme SMPD1 Potency - 31622 nM
P11308 BXGT007684 Transcriptional regulator ERG reviewed Transcription factor ERG Potency - 35481 nM
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency '=' 12589 nM
O95271 BXGT005369 Poly [ADP-ribose] polymerase tankyrase-1 reviewed - TNKS IC50 '=' 560 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 32642 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 28183 nM
Q16769 BXGT013665 Glutaminyl-peptide cyclotransferase reviewed Enzyme QPCT Inhibition '=' 75 %
P25779 BXGT009067 Cruzipain reviewed - Potency '=' 39810 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 18837 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 20596 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 30 %
P11021 BXGT007644 Endoplasmic reticulum chaperone BiP reviewed - HSPA5 Potency - 3981 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 37685 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 56234 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 56234 nM
P38398 BXGT010037 Breast cancer type 1 susceptibility protein reviewed Enzyme BRCA1 Potency - 10000 nM
O95271 BXGT005369 Poly [ADP-ribose] polymerase tankyrase-1 reviewed - TNKS IC50 '=' 562 nM
Q9H2K2 BXGT020454 Poly [ADP-ribose] polymerase tankyrase-2 reviewed - TNKS2 IC50 '=' 450 nM
P37136 BXGT009967 Acetylcholinesterase reviewed - Ache IC50 '=' 35 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00047 Chickpea Cicer arietinum Pulses
BXGF03397 Trifolium pratense Trifolium pratense Medicinal Plant
BXGF05722 Hedysarum polybotrys Hedysarum polybotrys 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