Details of the Biological Target of DIG (DBT)

General Information of DBT (ID: ET0Q5OM)
Name
Cholesterol 25-hydroxylase (CYP1A2)
Synonyms    Click to Show/Hide the Synonyms of This DBT
Cytochrome P450 1A2; Cytochrome P(3)450; Cytochrome P450 4; Cytochrome P450-P3; Cytochrome P-448; Hydroperoxy icosatetraenoate dehydratase; CYPIA2; Cytochrome P-450d; Cytochrome P450-D; Cytochrome P450-P3
Family Lyase/isomerase/ligase (L/I/G)  >>  Carbon-oxygen lyase (EC 4.2)
Organism
Homo sapiens (Human)
Gene Name CYP1A2 Gene ID
1544
UniProt ID CP1A2_HUMAN (click to find more protein-related data of this DBT)
INTEDE ID DME0003 (click to find more drug-metabolizing enzyme data of this DBT)
   Click to Show/Hide the Molecular/Function Data (Sequence/Function) of This Target
Sequence
MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKN
PHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDG
QSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELM
AGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFP
ILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGN
LIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLS
DRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPEL
WEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLE
FSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
Function
A cytochrome P450 monooxygenase involved in the metabolism of various endogenous substrates, including fatty acids, steroid hormones and vitamins. Mechanistically, uses molecular oxygen inserting one oxygen atom into a substrate, and reducing the second into a water molecule, with two electrons provided by NADPH via cytochrome P450 reductase (NADPH--hemoprotein reductase). Catalyzes the hydroxylation of carbon-hydrogen bonds. Exhibits high catalytic activity for the formation of hydroxyestrogens.
Full List of Drug Inactive Ingredients (DIGs) Regulating This DBT
          DIG Name: Docusate sodium Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Surfactant
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity EC50 = 147.4 uM (tested by experiment) [1]
                   Tested Species Homo sapiens (Human)
                   UniProt ID CP1A2_HUMAN
          DIG Name: Gamma-decalactone Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Flavoring agent
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 = 110000 nM (tested by experiment) [2]
                   Tested Species Homo sapiens (Human)
                   UniProt ID CP1A2_HUMAN
          DIG Name: Benzethonium chloride Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Antimicrobial preservative; Surfactant
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 = 189 uM (tested by experiment) [1]
                   Tested Species Homo sapiens (Human)
                   UniProt ID CP1A2_HUMAN
          DIG Name: Beta-naphthol Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Antimicrobial preservative
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 = 17000 nM (tested by experiment) [2]
                   Tested Species Homo sapiens (Human)
                   UniProt ID CP1A2_HUMAN
          DIG Name: Cetrimonium bromide Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Antimicrobial preservative; Surfactant
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 = 128.7 uM (tested by experiment) [1]
                   Tested Species Homo sapiens (Human)
                   UniProt ID CP1A2_HUMAN
          DIG Name: Diisopropyl adipate Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Emollient
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 = 110000 nM (estimated based on the structural similarity with CHEMBL365740 ) [2]
                   Structural Similarity Tanimoto coefficient = 0.818181818
                   Tested Species Homo sapiens (Human)
                   UniProt ID CP1A2_HUMAN
          DIG Name: Sodium oleate Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Complexing agent; Emulsifying agent; Surfactant; Viscosity-controlling agent
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity Ki = 16700 nM (tested by experiment) [3]
                   Tested Species Rattus norvegicus (Rat)
                   UniProt ID CP1A2_RAT
          DIG Name: Carboxymethylcellulose sodium Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Adsorbent; Binding agent; Disintegrant; Emulsifying agent; Suspending agent; Viscosity-controlling agent
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 = 224.7 uM (tested by experiment) [1]
                   Tested Species Homo sapiens (Human)
                   UniProt ID CP1A2_HUMAN
          DIG Name: Gelatin Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Other agent
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 = 40.9 uM (tested by experiment) [1]
                   Tested Species Homo sapiens (Human)
                   UniProt ID CP1A2_HUMAN
          DIG Name: Hydroxypropyl cellulose Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Binding agent; Coating agent; Emulsifying agent; Film/Membrane-forming agent; Modified-release agent; Suspending agent; Viscosity-controlling agent
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity EC50 = 139 uM (tested by experiment) [1]
                   Tested Species Homo sapiens (Human)
                   UniProt ID CP1A2_HUMAN
          DIG Name: Hypromellose Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Coating agent
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity EC50 = 106.7 uM (tested by experiment) [1]
                   Tested Species Homo sapiens (Human)
                   UniProt ID CP1A2_HUMAN
          DIG Name: Polyoxyl 35 castor oil Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Emulsifying agent; Solubilizing agent; Surfactant
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity EC50 = 1.1 uM (tested by experiment) [1]
                   Tested Species Homo sapiens (Human)
                   UniProt ID CP1A2_HUMAN
          DIG Name: Polyoxyl 40 stearate Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Emulsifying agent; Surfactant
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 = 181.3 uM (tested by experiment) [4]
                   Tested Species Homo sapiens (Human)
                   UniProt ID CP1A2_HUMAN
          DIG Name: Povidone Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Binding agent; Coating agent; Disintegrant; Film/membrane-forming agent; Solubilizing agent; Suspending agent
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 = 78.3 uM (tested by experiment) [1]
                   Tested Species Homo sapiens (Human)
                   UniProt ID CP1A2_HUMAN
          DIG Name: Tocophersolan Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Antioxidant; Binding agent; Emulsifying agent; Ointment base; Solubilizing agent; Surfactant; Suspending agent
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity EC50 = 208.8 uM (tested by experiment) [1]
                   Tested Species Homo sapiens (Human)
                   UniProt ID CP1A2_HUMAN
          DIG Name: Polyoxyl 20 cetyl ether Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Emulsifying agent; Ointment base; Solubilizing agent; Surfactant
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity EC50 = 211.5 uM (tested by experiment) [1]
                   Tested Species Homo sapiens (Human)
                   UniProt ID CP1A2_HUMAN
          DIG Name: Kollicoat IR Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Film/Membrane-forming agent
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 = 10 uM (tested by experiment) [1]
                   Tested Species Homo sapiens (Human)
                   UniProt ID CP1A2_HUMAN
          DIG Name: Polyoxyl 15 hydroxystearate Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Emulsifying agent; Solubilizing agent; Surfactant
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 = 328.1 uM (tested by experiment) [1]
                   Tested Species Homo sapiens (Human)
                   UniProt ID CP1A2_HUMAN
          DIG Name: Sodium caprylate Click to Show/Hide
             Detailed Information DIG Info click to show the detail info of this DIG
             Functional Class    Click to Show/Hide the Functional Class of This DIG
Emulsifying agent; Surfactant
             Experiment for Assessing the Biological Activity of This DIG on the Studied DBT
                   Biological Activity IC50 = 30.3 uM (tested by experiment) [1]
                   Tested Species Homo sapiens (Human)
                   UniProt ID CP1A2_HUMAN
References
1 Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.
2 Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors. J Med Chem. 2005 Jun 2; 48(11):3808-15.
3 Effect of albumin on human liver microsomal and recombinant CYP1A2 activities: impact on in vitro-in vivo extrapolation of drug clearance. Drug Metab Dispos. 2012 May; 40(5):982-9.
4 Effects of polyoxyethylene (40) stearate on the activity of P-glycoprotein and cytochrome P450. Eur J Pharm Sci. 2009 Jul 12;37(5):573-80.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhang and Dr. Mou.