Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1984)
Drug Name
Biphenol A
Synonyms
Bisferol A; Bisphenol; Bisphenol A; Bisphenol-A; Dimethylmethylene-p,p'-diphenol; Diphenylolpropane; Ipognox 88; Parabis A; Pluracol 245; Rikabanol; 4,4'-Isopropylidenediphenol; Ucar bisphenol A; p,p'-Bisphenol A; p,p'-Isopropylidenebisphenol; p,p'-Isopropylidenediphenol; 2,2-Bis(4-hydroxyphenyl)propane; 2,2-Bis(p-hydroxyphenyl)propane; 2,2-Di(4-phenylol)propane; 4,4'-(propane-2,2-diyl)diphenol; 4,4'-Bisphenol A; 4,4'-Dihydroxydiphenylpropane; DIAN; Diano; Phenol, 4,4'-(1-methylethylidene)bis-
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 228.29 Topological Polar Surface Area 40.5
Heavy Atom Count 17 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
6623
PubChem SID
68531 ; 81140 ; 586242 ; 893061 ; 3135927 ; 4950518 ; 7978799 ; 8154266 ; 10536202 ; 11533254 ; 14709383 ; 15220620 ; 16962392 ; 17389142 ; 17390010 ; 22389361 ; 24848090 ; 24848951 ; 24850948 ; 24850949 ; 24850952 ; 24854386 ; 24867221 ; 24867222 ; 25622888 ; 26736246 ; 26752849 ; 29225577 ; 32017005 ; 47365493 ; 48413311 ; 48416888 ; 48421347 ; 48421869 ; 48422978 ; 48424894 ; 48424895 ; 48425781 ; 48426108 ; 49718108 ; 49855899 ; 50105488 ; 50436459 ; 53786774 ; 56310669 ; 56311407 ; 56311428 ; 56311468 ; 56312131 ; 56312424
ChEBI ID
CHEBI:33216
CAS Number
80-05-7
TTD Drug ID
D02RQP
Formula
C15H16O2
Canonical SMILES
CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
InChI
1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
InChIKey
IISBACLAFKSPIT-UHFFFAOYSA-N
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Sulfotransferase 2A1 (SULT2A1) DME0074 Homo sapiens
ST2A1_HUMAN
2.8.2.14
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Sulfotransferase 2A1 (SULT2A1) DME0074 Km = 0.0043 microM
ST2A1_HUMAN
[2]
References
1 Antiandrogenic effects of bisphenol A and nonylphenol on the function of androgen receptor. Toxicol Sci. 2003 Sep;75(1):40-6.
2 Sulfation of environmental estrogens by cytosolic human sulfotransferases. Drug Metab Pharmacokinet. 2002;17(3):221-8.

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